2-[(6-amino-2-ethylpyrimidin-4-yl)-methylamino]benzonitrile

C14H15N5 — CID 80941607

IUPAC2-[(6-amino-2-ethylpyrimidin-4-yl)-methylamino]benzonitrile
SMILESCCc1nc(N)cc(N(C)c2ccccc2C#N)n1
InChIInChI=1S/C14H15N5/c1-3-13-17-12(16)8-14(18-13)19(2)11-7-5-4-6-10(11)9-15/h4-8H,3H2,1-2H3,(H2,16,17,18)
InChIKeyGPKNUMTZYMVIOL-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.26
Rot. Bonds3

About 2-[(6-amino-2-ethylpyrimidin-4-yl)-methylamino]benzonitrile

2-[(6-amino-2-ethylpyrimidin-4-yl)-methylamino]benzonitrile (PubChem CID 80941607) has the molecular formula C14H15N5 and a molecular weight of 253.31 g/mol. Its IUPAC name is 2-[(6-amino-2-ethylpyrimidin-4-yl)-methylamino]benzonitrile.

Molecular Properties

Compound Name2-[(6-amino-2-ethylpyrimidin-4-yl)-methylamino]benzonitrile
PubChem CID80941607
Molecular FormulaC14H15N5
Molecular Weight253.31 g/mol
Exact Mass253.13
IUPAC Name2-[(6-amino-2-ethylpyrimidin-4-yl)-methylamino]benzonitrile
SMILESCCc1nc(N)cc(N(C)c2ccccc2C#N)n1
InChIInChI=1S/C14H15N5/c1-3-13-17-12(16)8-14(18-13)19(2)11-7-5-4-6-10(11)9-15/h4-8H,3H2,1-2H3,(H2,16,17,18)
InChIKeyGPKNUMTZYMVIOL-UHFFFAOYSA-N
XLogP2.26
TPSA78.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(6-amino-2-ethylpyrimidin-4-yl)-methylamino]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Dapivirine
CID 214347
Rilpivirine
CID 6451164
Rilpivirine Hydrochloride
CID 11711114
4-[[4-[4-(2-Cyanoethyl)-2,6-dimethyl-anilino]pyrimidin-2-yl]amino]benzonitrile
CID 5270788
2-N-benzyl-4-N-butyl-6-methylpyrimidine-2,4-diamine
CID 659917
4-Amino-2,6-diphenylpyrimidine-5-carbonitrile
CID 2303947
4-(Methylamino)-2,6-diphenylpyrimidine-5-carbonitrile
CID 1480496
4-N-ethyl-6-N,1,2-trimethyl-4-N-phenylpyrimidin-1-ium-4,6-diamine;chloride
CID 9796088
3-Pyridinecarbonitrile, 4-(dimethylamino)-6-methyl-2-((phenylmethyl)amino)-
CID 660897
N2-benzyl-N4-cyclohexyl-6-methylpyrimidine-2,4-diamine
CID 697226
N~2~-benzyl-N~4~-(3-fluorophenyl)-6-methyl-2,4-pyrimidinediamine
CID 697239
N~2~-benzyl-6-methyl-N~4~-(4-methylphenyl)-2,4-pyrimidinediamine
CID 721060

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-2-ethylpyrimidin-4-yl)-methylamino]benzonitrile?
The IUPAC name of 2-[(6-amino-2-ethylpyrimidin-4-yl)-methylamino]benzonitrile (CID 80941607) is 2-[(6-amino-2-ethylpyrimidin-4-yl)-methylamino]benzonitrile.
What is the SMILES notation for 2-[(6-amino-2-ethylpyrimidin-4-yl)-methylamino]benzonitrile?
The canonical SMILES for 2-[(6-amino-2-ethylpyrimidin-4-yl)-methylamino]benzonitrile is CCc1nc(N)cc(N(C)c2ccccc2C#N)n1.
What is the InChIKey of 2-[(6-amino-2-ethylpyrimidin-4-yl)-methylamino]benzonitrile?
The InChIKey is GPKNUMTZYMVIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5/c1-3-13-17-12(16)8-14(18-13)19(2)11-7-5-4-6-10(11)9-15/h4-8H,3H2,1-2H3,(H2,16,17,18).
What are the key properties of 2-[(6-amino-2-ethylpyrimidin-4-yl)-methylamino]benzonitrile?
2-[(6-amino-2-ethylpyrimidin-4-yl)-methylamino]benzonitrile has a molecular weight of 253.31 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-2-ethylpyrimidin-4-yl)-methylamino]benzonitrile is sourced from PubChem (CID 80941607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).