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2,4-Diaminopyrimidine

CAT: 0024-sc-225660Size: 1 gDry Ice: NoHazardous: No
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CAT#:0024-sc-225660Size:1 g
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CAS Number
156-81-0

Chemical Information

2,4-Diaminopyrimidine

Pyrimidine-2,4-diamine is an aminopyrimidine in which a pyrimidine nucleus is substituted with amino groups at C-2 and C-4.

CAS Number156-81-0
PubChem CID67431
IUPAC Namepyrimidine-2,4-diamine
Molecular FormulaC4H6N4
Molecular Weight110.12
XLogP-0.5
Topological Polar Surface Area77.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Heavy Atom Count8
Formal Charge0
Complexity74
SMILES
C1=CN=C(N=C1N)N
InChI
InChI=1S/C4H6N4/c5-3-1-2-7-4(6)8-3/h1-2H,(H4,5,6,7,8)
InChIKey
YAAWASYJIRZXSZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,4-Diaminopyrimidine
CAS: 156-81-0
CID: 67431
Formula: C4H6N4
MW: 110.12
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight110.12
XLogP3-0.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass110.059246208
Monoisotopic Mass110.059246208
Topological Polar Surface Area77.8 Ų
Heavy Atom Count8
Formal Charge0
Complexity74.4
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes