2-[(2-hydroxycyclohexyl)amino]-6-methylpyrimidine-4-carbonitrile

C12H16N4O — CID 107552012

IUPAC2-[(2-hydroxycyclohexyl)amino]-6-methylpyrimidine-4-carbonitrile
SMILESCc1cc(C#N)nc(NC2CCCCC2O)n1
InChIInChI=1S/C12H16N4O/c1-8-6-9(7-13)15-12(14-8)16-10-4-2-3-5-11(10)17/h6,10-11,17H,2-5H2,1H3,(H,14,15,16)
InChIKeyJMGOMPMSAGTSAX-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.37
Rot. Bonds2

About 2-[(2-hydroxycyclohexyl)amino]-6-methylpyrimidine-4-carbonitrile

2-[(2-hydroxycyclohexyl)amino]-6-methylpyrimidine-4-carbonitrile (PubChem CID 107552012) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 2-[(2-hydroxycyclohexyl)amino]-6-methylpyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-[(2-hydroxycyclohexyl)amino]-6-methylpyrimidine-4-carbonitrile
PubChem CID107552012
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name2-[(2-hydroxycyclohexyl)amino]-6-methylpyrimidine-4-carbonitrile
SMILESCc1cc(C#N)nc(NC2CCCCC2O)n1
InChIInChI=1S/C12H16N4O/c1-8-6-9(7-13)15-12(14-8)16-10-4-2-3-5-11(10)17/h6,10-11,17H,2-5H2,1H3,(H,14,15,16)
InChIKeyJMGOMPMSAGTSAX-UHFFFAOYSA-N
XLogP1.37
TPSA81.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-aminocyclohexyl)amino]-6-methylpyrimidine-4-carbonitrile
CID 107552420
2-[(2-hydroxycycloheptyl)amino]-6-methylpyridine-4-carbonitrile
CID 114769770
2-(cyclopent-3-en-1-ylamino)-6-methylpyrimidine-4-carbonitrile
CID 107545212
6-methyl-2-(thiolan-3-ylamino)pyrimidine-4-carbonitrile
CID 107545432
6-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyrimidine-4-carbonitrile
CID 107544308
2-[(2,2-dimethyloxan-4-yl)amino]-6-methylpyrimidine-4-carbonitrile
CID 107545039
6-methyl-2-[[(2R,3S)-2-pyridin-3-yloxolan-3-yl]amino]pyrimidine-4-carbonitrile
CID 120917031
2-[[(4-cyano-6-methylpyrimidin-2-yl)amino]methyl]cyclohexane-1-carboxylic acid
CID 107543046
2-[(2,6-dioxopiperidin-3-yl)amino]-6-methylpyrimidine-4-carbonitrile
CID 107544744
6-methyl-2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]pyrimidine-4-carbonitrile
CID 107544746
6-[(2-hydroxycyclohexyl)amino]-2-methylpyridine-3-carbonitrile
CID 136544292
4,6-dimethyl-N-(2-methylcyclopentyl)pyrimidin-2-amine
CID 63281309

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxycyclohexyl)amino]-6-methylpyrimidine-4-carbonitrile?
The IUPAC name of 2-[(2-hydroxycyclohexyl)amino]-6-methylpyrimidine-4-carbonitrile (CID 107552012) is 2-[(2-hydroxycyclohexyl)amino]-6-methylpyrimidine-4-carbonitrile.
What is the SMILES notation for 2-[(2-hydroxycyclohexyl)amino]-6-methylpyrimidine-4-carbonitrile?
The canonical SMILES for 2-[(2-hydroxycyclohexyl)amino]-6-methylpyrimidine-4-carbonitrile is Cc1cc(C#N)nc(NC2CCCCC2O)n1.
What is the InChIKey of 2-[(2-hydroxycyclohexyl)amino]-6-methylpyrimidine-4-carbonitrile?
The InChIKey is JMGOMPMSAGTSAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-8-6-9(7-13)15-12(14-8)16-10-4-2-3-5-11(10)17/h6,10-11,17H,2-5H2,1H3,(H,14,15,16).
What are the key properties of 2-[(2-hydroxycyclohexyl)amino]-6-methylpyrimidine-4-carbonitrile?
2-[(2-hydroxycyclohexyl)amino]-6-methylpyrimidine-4-carbonitrile has a molecular weight of 232.29 g/mol, XLogP of 1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxycyclohexyl)amino]-6-methylpyrimidine-4-carbonitrile is sourced from PubChem (CID 107552012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).