Pyrimidine-4,5-diamine

CAT: 0127-OR46600-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR46600-01Size:1 g

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CAS Number

13754-19-3

Synonyms

4,5-Diaminopyrimidine, 4,5-Diamino-1,3-diazine

MDL Number

MFCD00006113

Purity

98%

Smiles

Nc1cncnc1N

Chemical Information

4,5-Diaminopyrimidine

CAS Number	13754-19-3
PubChem CID	83703
IUPAC Name	pyrimidine-4,5-diamine
Molecular Formula	C4H6N4
Molecular Weight	110.12
XLogP	-0.8
Topological Polar Surface Area	77.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Heavy Atom Count	8
Formal Charge	0
Complexity	74

SMILES

C1=C(C(=NC=N1)N)N

InChI

InChI=1S/C4H6N4/c5-3-1-7-2-8-4(3)6/h1-2H,5H2,(H2,6,7,8)

InChIKey

PPAULTVPKLVLII-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 13754-19-3

CID: 83703

Formula: C4H6N4

MW: 110.12

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	110.12
XLogP3	-0.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	110.059246208
Monoisotopic Mass	110.059246208
Topological Polar Surface Area	77.8 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	74.4
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
PC520064	5- (Difluoromethyl) pyrimidine-2,4-diamine
OR30933-01	Pyrimidine-2,4-diamine
OR25230	5- (tert-butylsulphonyl) pyrimidine-2,4-diamine
OR1074786-01	5- (4-Ethoxy-3,5-dimethoxybenzyl) pyrimidine-2,4-diamine
OR1067243-01	5- (4- (Dimethylamino) -3,5-dimethoxybenzyl) pyrimidine-2,4-diamine
OR1060525-01	5- (2-Isopropyl-4-methoxyphenoxy) pyrimidine-2,4-diamine
PC210035	5- (2-Bromo-5-fluorophenoxy) pyrimidine-2,4-diamine
OR310909	5- (2-Bromo-5-methoxyphenoxy) pyrimidine-2,4-diamine
PC210033	5- (2-Bromo-4-fluorophenoxy) pyrimidine-2,4-diamine
OR1024321	5- (5-Iodo-2-Isopropyl-4-Methoxyphenoxy) Pyrimidine-2,4-Diamine

Catalog	Name
YQB81705-01	2- (Trifluoromethyl) pyrimidine-4,5-diamine
SAA03914-01	5- (4-Chlorophenyl) pyrimidine-2,4-diamine
FFA80137-01	5- (2-Chlorophenyl) pyrimidine-2,4-diamine
TAA20283-01	4-N- (Propan-2-yl) pyrimidine-4,5-diamine
AAA70846-01	2-Chloro-6- (trifluoromethyl) pyrimidine-4,5-diamine
SDA65378-01	N4-Methyl-5- (3,4,5-trimethoxybenzyl) -pyrimidine-2,4-diamine
JH445956	5-[ (4,5-dimethoxy-2-methylphenyl) methyl]pyrimidine-2,4-diamine
NF57447-01	6- (4-Fluorophenyl) pyrimidine-2,4-diamine
TRC-C380950-5G	6-Chloro-pyrimidine-2,4-diamine
434405-01	5- (3,4-Dichlorophenyl) -6- (ethoxymethyl) pyrimidine-2,4-diamine