(5-Fluoro-pyrimidin-2-yl) -isopropyl-amine

CAT: 0127-PC408293Size: 1 EachDry Ice: NoHazardous: No

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CAT#:0127-PC408293Size:1 Each

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CAS Number

77476-97-2

MDL Number

MFCD02102214

Purity

=95%

Smiles

CC(C)Nc1ncc(F)cn1

Chemical Information

5-Fluoro-N-isopropylpyrimidin-2-amine

CAS Number	77476-97-2
PubChem CID	23461723
IUPAC Name	5-fluoro-N-propan-2-ylpyrimidin-2-amine
Molecular Formula	C7H10FN3
Molecular Weight	155.17
XLogP	1.4
Topological Polar Surface Area	37.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	11
Formal Charge	0
Complexity	110

SMILES

CC(C)NC1=NC=C(C=N1)F

InChI

InChI=1S/C7H10FN3/c1-5(2)11-7-9-3-6(8)4-10-7/h3-5H,1-2H3,(H,9,10,11)

InChIKey

XBTFODSSIVKQTO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 77476-97-2

CID: 23461723

Formula: C7H10FN3

MW: 155.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	155.17
XLogP3	1.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	155.08587549
Monoisotopic Mass	155.08587549
Topological Polar Surface Area	37.8 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	110
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
PC408018	Cyclopropyl- (5-fluoro-pyrimidin-2-yl) -amine
PC111332-01	5-Fluoro-N- (piperidin-4-yl) pyrimidin-2-amine hydrochloride
PC1006249-01	5-Fluoro-4- (4-fluoro-1-isopropyl-2-methyl-1H-benzo[d]imidazol-6-yl) -N- (5- (piperazin-1-yl) pyridin-2-yl) pyrimidin-2-amine
OR1080513-01	5- (furan-2-yl) pyrimidin-2-amine
OR1086761-01	5- (thiophen-2-yl) pyrimidin-2-amine
PC102089-01	5-Fluoro-2- (methylsulfonyl) pyrimidin-4-amine
PC111063-01	5-Fluoro-2- (methylthio) pyrimidin-4-amine
OR931825-01	(5-Chloro-pyrimidin-2-yl) -cyclopropyl-amine
PC421175	(2-Chloro-5-trifluoromethyl-pyridin-4-yl) -isopropyl-amine
PC421181	(4-Chloro-5-trifluoromethyl-pyridin-2-yl) -isopropyl-amine

Catalog	Name
FI63880-01	Isopropyl-pyrimidin-2-yl-amine
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EWB00940-01	2- (Pyrimidin-2-yl) pyrimidin-5-amine
CIB58884-01	5- (Pyrimidin-5-yl) pyridin-2-amine
KCC07872-01	5-Fluoro-2- (methylsulfanyl) pyrimidin-4-amine
XZB15156-01	2- (Butan-2-yl) pyrimidin-5-amine
SEC98044-01	5- (Piperidin-2-yl) pyrimidin-2-amine
UMB90246-01	2- (Propan-2-yl) pyrimidin-5-amine
UTB37380-01	2- (5-Bromothiophen-2-yl) pyrimidin-5-amine
CWB56233-01	2- (5-Chlorothiophen-2-yl) pyrimidin-5-amine