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

C12H16N4 — CID 107543494

IUPAC2-[(4-methylcyclohexyl)amino]pyrimidine-4-carbonitrile
SMILESCC1CCC(Nc2nccc(C#N)n2)CC1
InChIInChI=1S/C12H16N4/c1-9-2-4-10(5-3-9)15-12-14-7-6-11(8-13)16-12/h6-7,9-10H,2-5H2,1H3,(H,14,15,16)
InChIKeyHLLGMIGRSRAZKO-UHFFFAOYSA-N
MW216.29 g/mol
LogP2.34
Rot. Bonds2

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

2-[(4-methylcyclohexyl)amino]pyrimidine-4-carbonitrile (PubChem CID 107543494) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 2-[(4-methylcyclohexyl)amino]pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-[(4-methylcyclohexyl)amino]pyrimidine-4-carbonitrile
PubChem CID107543494
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name2-[(4-methylcyclohexyl)amino]pyrimidine-4-carbonitrile
SMILESCC1CCC(Nc2nccc(C#N)n2)CC1
InChIInChI=1S/C12H16N4/c1-9-2-4-10(5-3-9)15-12-14-7-6-11(8-13)16-12/h6-7,9-10H,2-5H2,1H3,(H,14,15,16)
InChIKeyHLLGMIGRSRAZKO-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-[(3-methylcyclohexyl)amino]pyrimidine-4-carbonitrile
CID 107543643
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
2-(2-cyclopentyloxyethylamino)pyrimidine-4-carbonitrile
CID 107544548
2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]pyrimidine-4-carbonitrile
CID 107544747
N-cyclopropyl-4-iodopyrimidin-2-amine
CID 130116480
6-[(3-methylcyclopentyl)amino]pyridine-2-carbonitrile
CID 114546536
N-cyclohexyl-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112884924
2-(2-methylpentan-2-ylamino)pyrimidine-4-carbonitrile
CID 107545205
3-[(4-methylcyclohexyl)amino]pyridazine-4-carbonitrile
CID 80509395

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylcyclohexyl)amino]pyrimidine-4-carbonitrile?
The IUPAC name of 2-[(4-methylcyclohexyl)amino]pyrimidine-4-carbonitrile (CID 107543494) is 2-[(4-methylcyclohexyl)amino]pyrimidine-4-carbonitrile.
What is the SMILES notation for 2-[(4-methylcyclohexyl)amino]pyrimidine-4-carbonitrile?
The canonical SMILES for 2-[(4-methylcyclohexyl)amino]pyrimidine-4-carbonitrile is CC1CCC(Nc2nccc(C#N)n2)CC1.
What is the InChIKey of 2-[(4-methylcyclohexyl)amino]pyrimidine-4-carbonitrile?
The InChIKey is HLLGMIGRSRAZKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-9-2-4-10(5-3-9)15-12-14-7-6-11(8-13)16-12/h6-7,9-10H,2-5H2,1H3,(H,14,15,16).
What are the key properties of 2-[(4-methylcyclohexyl)amino]pyrimidine-4-carbonitrile?
2-[(4-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-[(4-methylcyclohexyl)amino]pyrimidine-4-carbonitrile is sourced from PubChem (CID 107543494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).