2-[(3-methylcyclohexyl)amino]pyrimidine-4-carbonitrile

C12H16N4 — CID 107543643

IUPAC2-[(3-methylcyclohexyl)amino]pyrimidine-4-carbonitrile
SMILESCC1CCCC(Nc2nccc(C#N)n2)C1
InChIInChI=1S/C12H16N4/c1-9-3-2-4-10(7-9)15-12-14-6-5-11(8-13)16-12/h5-6,9-10H,2-4,7H2,1H3,(H,14,15,16)
InChIKeyJWICQVTUBXHIOV-UHFFFAOYSA-N
MW216.29 g/mol
LogP2.34
Rot. Bonds2

About 2-[(3-methylcyclohexyl)amino]pyrimidine-4-carbonitrile

2-[(3-methylcyclohexyl)amino]pyrimidine-4-carbonitrile (PubChem CID 107543643) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 2-[(3-methylcyclohexyl)amino]pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-[(3-methylcyclohexyl)amino]pyrimidine-4-carbonitrile
PubChem CID107543643
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name2-[(3-methylcyclohexyl)amino]pyrimidine-4-carbonitrile
SMILESCC1CCCC(Nc2nccc(C#N)n2)C1
InChIInChI=1S/C12H16N4/c1-9-3-2-4-10(7-9)15-12-14-6-5-11(8-13)16-12/h5-6,9-10H,2-4,7H2,1H3,(H,14,15,16)
InChIKeyJWICQVTUBXHIOV-UHFFFAOYSA-N
XLogP2.34
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-methylcyclohexyl)amino]pyrimidine-4-carbonitrile
CID 107543494
2-[(2-methylcyclohexyl)amino]pyrimidine-4-carbonitrile
CID 107543459
2-(oxan-3-ylamino)pyrimidine-4-carbonitrile
CID 107544503
2-[(2-aminocyclopentyl)amino]pyrimidine-4-carbonitrile
CID 107552495
2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pyrimidine-4-carbonitrile
CID 106256187
6-[(3-methylcyclopentyl)amino]pyridine-2-carbonitrile
CID 114546536
4,6-dimethyl-N-(3-methylcyclohexyl)pyrimidin-2-amine
CID 43428255
6-[[(1S,3R)-3-methylcyclohexyl]amino]pyridine-3-carbonitrile
CID 93287060
2-[2-[cyclopentyl(methyl)amino]ethylamino]pyrimidine-4-carbonitrile
CID 107544497
2-[cyclobutylmethyl(methyl)amino]pyrimidine-4-carbonitrile
CID 107544379
2-(2-cyclopentyloxyethylamino)pyrimidine-4-carbonitrile
CID 107544548
2-[(4-hydroxycyclohexyl)amino]-4-[[(1R,3S)-3-methylcycloheptyl]amino]pyrimidine-5-carbonitrile
CID 163447423

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylcyclohexyl)amino]pyrimidine-4-carbonitrile?
The IUPAC name of 2-[(3-methylcyclohexyl)amino]pyrimidine-4-carbonitrile (CID 107543643) is 2-[(3-methylcyclohexyl)amino]pyrimidine-4-carbonitrile.
What is the SMILES notation for 2-[(3-methylcyclohexyl)amino]pyrimidine-4-carbonitrile?
The canonical SMILES for 2-[(3-methylcyclohexyl)amino]pyrimidine-4-carbonitrile is CC1CCCC(Nc2nccc(C#N)n2)C1.
What is the InChIKey of 2-[(3-methylcyclohexyl)amino]pyrimidine-4-carbonitrile?
The InChIKey is JWICQVTUBXHIOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-9-3-2-4-10(7-9)15-12-14-6-5-11(8-13)16-12/h5-6,9-10H,2-4,7H2,1H3,(H,14,15,16).
What are the key properties of 2-[(3-methylcyclohexyl)amino]pyrimidine-4-carbonitrile?
2-[(3-methylcyclohexyl)amino]pyrimidine-4-carbonitrile has a molecular weight of 216.29 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylcyclohexyl)amino]pyrimidine-4-carbonitrile is sourced from PubChem (CID 107543643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).