2,4-Diaminopyrimidine-5-carbonitrile
C₅H₅N₅·135.130 g/mol·CID 282115
IUPAC: 2,4-diaminopyrimidine-5-carbonitrile
Also known as: 16462-27-4, DTXSID60300179, RefChem:82285, DTXCID60251314, 813-877-7 (+14 more)
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
135.130g/mol
Exact Mass
135.054495Da
Monoisotopic Mass
135.054495Da
XLogP
-0.2
Polar Surface Area
102.0Ų
Complexity
159
Formal Charge
0
H-Bond Donors
2
H-Bond Acceptors
5
Rotatable Bonds
0
Heavy Atoms
10
Stereo Centers
0
Bond Stereo
0
Drug-Likeness (Lipinski's Rule of Five)
✓ 135.1 g/mol
MW ≤ 500
✓ -0.2
LogP ≤ 5
✓ 2
H-bond donors ≤ 5
✓ 5
H-bond acceptors ≤ 10
Passes all rules — good oral bioavailability predicted
GHS Hazard Classification
Danger
Hazards
H301Toxic if swallowedH302Harmful if swallowedH311Toxic in contact with skinH312Harmful in contact with skinH315Causes skin irritationH319Causes serious eye irritationH331Toxic if inhaledH332Harmful if inhaledH335May cause respiratory irritation
Source: PubChem GHS Classification. Always consult the SDS for handling.
Isomers8 compounds with formula C₅H₅N₅
7H-purin-6-amine
CID 190 · 135.1 g/mol
7H-purin-2-amine
CID 9955 · 135.1 g/mol
1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 75420 · 135.1 g/mol
2-hydrazinylpyrimidine-5-carbonitrile
CID 1478409 · 135.1 g/mol
[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 3161243 · 135.1 g/mol
1H-imidazo[4,5-d]pyridazin-4-amine
CID 5469585 · 135.1 g/mol
tetrazolo[1,5-a]pyridin-6-amine
CID 346456 · 135.1 g/mol
N'-[(Z)-2-amino-1,2-dicyanoethenyl]methanimidamide
CID 5468431 · 135.1 g/mol