C1=NC(=C(C(=N1)Cl)C#N)N
CAS: 60025-09-4
Name: 4-amino-6-chloropyrimidine-5-carbonitrile
SMILES: C1=NC(=C(C(=N1)Cl)C#N)N

Molecular Processing

Molecular formula
C5H3ClN4
Molecular weight
154.56
Exact mass
154.0046
XLogP
0.58
TPSA
75.59
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
0
Heavy atoms
10
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0
Molar refractivity
36.17

Supplementary Information

InChIKey: MAVMFCKRFRCMLE-UHFFFAOYSA-N
Synonyme
4-AMINO-6-CHLOROPYRIMIDINE-5-CARBONITRILE60025-09-4DTXSID20483831RefChem:290023DTXCID20434641MFCD077618124-AMINO-6-CHLORO-PYRIMIDINE-5-CARBONITRILE5-PYRIMIDINECARBONITRILE, 4-AMINO-6-CHLORO-4-amino-6-chloro-5-pyrimidinecarbonitrileSCHEMBL154759SCHEMBL31265625MAVMFCKRFRCMLE-UHFFFAOYSA-N4-amino-6-chloro-5-cyanopyrimidineSBB055928AKOS005258886CS-W008745GS-6681PB14495AC-25657SY018384DB-072739F068741
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