6-amino-2-(3-methylphenyl)pyrimidine-4-carbonitrile

C12H10N4 — CID 116862707

IUPAC6-amino-2-(3-methylphenyl)pyrimidine-4-carbonitrile
SMILESCc1cccc(-c2nc(N)cc(C#N)n2)c1
InChIInChI=1S/C12H10N4/c1-8-3-2-4-9(5-8)12-15-10(7-13)6-11(14)16-12/h2-6H,1H3,(H2,14,15,16)
InChIKeyJZTQRQUMZKJQCX-UHFFFAOYSA-N
MW210.24 g/mol
LogP1.91
Rot. Bonds1

About 6-amino-2-(3-methylphenyl)pyrimidine-4-carbonitrile

6-amino-2-(3-methylphenyl)pyrimidine-4-carbonitrile (PubChem CID 116862707) has the molecular formula C12H10N4 and a molecular weight of 210.24 g/mol. Its IUPAC name is 6-amino-2-(3-methylphenyl)pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name6-amino-2-(3-methylphenyl)pyrimidine-4-carbonitrile
PubChem CID116862707
Molecular FormulaC12H10N4
Molecular Weight210.24 g/mol
Exact Mass210.09
IUPAC Name6-amino-2-(3-methylphenyl)pyrimidine-4-carbonitrile
SMILESCc1cccc(-c2nc(N)cc(C#N)n2)c1
InChIInChI=1S/C12H10N4/c1-8-3-2-4-9(5-8)12-15-10(7-13)6-11(14)16-12/h2-6H,1H3,(H2,14,15,16)
InChIKeyJZTQRQUMZKJQCX-UHFFFAOYSA-N
XLogP1.91
TPSA75.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-amino-2-naphthalen-2-ylpyrimidine-4-carbonitrile
CID 116862730
6-amino-2-(3,4-dimethoxyphenyl)pyrimidine-4-carbonitrile
CID 116862627
4-(3-methylphenyl)-6-phenyl-1,3,5-triazin-2-amine
CID 63866847
4,6-dimethyl-2-(3-methylphenyl)pyrimidine
CID 55264289
2-(3-methylphenyl)-4,6-bis(4-methylphenyl)-1,3,5-triazine
CID 171058363
6-amino-2-(2,3-dihydro-1H-inden-5-yl)pyrimidine-4-carbonitrile
CID 116862635
6-amino-2-naphthalen-1-ylpyrimidine-4-carbonitrile
CID 116862729
2-[3-(3-methylphenyl)phenyl]-4,6-diphenylpyrimidine
CID 121315996
2-[4-[4-[4,6-bis(3-methylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 20652059
4,6-bis(3-methylphenyl)pyrimidin-2-amine
CID 75360131
3-methyl-2-(3-methylphenyl)benzonitrile
CID 172915333
2-amino-6-methyl-4-(3-methylphenyl)pyridine-3-carbonitrile
CID 4632984

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-(3-methylphenyl)pyrimidine-4-carbonitrile?
The IUPAC name of 6-amino-2-(3-methylphenyl)pyrimidine-4-carbonitrile (CID 116862707) is 6-amino-2-(3-methylphenyl)pyrimidine-4-carbonitrile.
What is the SMILES notation for 6-amino-2-(3-methylphenyl)pyrimidine-4-carbonitrile?
The canonical SMILES for 6-amino-2-(3-methylphenyl)pyrimidine-4-carbonitrile is Cc1cccc(-c2nc(N)cc(C#N)n2)c1.
What is the InChIKey of 6-amino-2-(3-methylphenyl)pyrimidine-4-carbonitrile?
The InChIKey is JZTQRQUMZKJQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4/c1-8-3-2-4-9(5-8)12-15-10(7-13)6-11(14)16-12/h2-6H,1H3,(H2,14,15,16).
What are the key properties of 6-amino-2-(3-methylphenyl)pyrimidine-4-carbonitrile?
6-amino-2-(3-methylphenyl)pyrimidine-4-carbonitrile has a molecular weight of 210.24 g/mol, XLogP of 1.91, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-(3-methylphenyl)pyrimidine-4-carbonitrile is sourced from PubChem (CID 116862707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).