2-[(4,4-dimethylcyclohexyl)-methylamino]-6-methylpyrimidine-4-carbonitrile

C15H22N4 — CID 107544849

IUPAC2-[(4,4-dimethylcyclohexyl)-methylamino]-6-methylpyrimidine-4-carbonitrile
SMILESCc1cc(C#N)nc(N(C)C2CCC(C)(C)CC2)n1
InChIInChI=1S/C15H22N4/c1-11-9-12(10-16)18-14(17-11)19(4)13-5-7-15(2,3)8-6-13/h9,13H,5-8H2,1-4H3
InChIKeyNFEUICQPVSDPNM-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.06
Rot. Bonds2

About 2-[(4,4-dimethylcyclohexyl)-methylamino]-6-methylpyrimidine-4-carbonitrile

2-[(4,4-dimethylcyclohexyl)-methylamino]-6-methylpyrimidine-4-carbonitrile (PubChem CID 107544849) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 2-[(4,4-dimethylcyclohexyl)-methylamino]-6-methylpyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-[(4,4-dimethylcyclohexyl)-methylamino]-6-methylpyrimidine-4-carbonitrile
PubChem CID107544849
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name2-[(4,4-dimethylcyclohexyl)-methylamino]-6-methylpyrimidine-4-carbonitrile
SMILESCc1cc(C#N)nc(N(C)C2CCC(C)(C)CC2)n1
InChIInChI=1S/C15H22N4/c1-11-9-12(10-16)18-14(17-11)19(4)13-5-7-15(2,3)8-6-13/h9,13H,5-8H2,1-4H3
InChIKeyNFEUICQPVSDPNM-UHFFFAOYSA-N
XLogP3.06
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclopropyl(propyl)amino]-6-methylpyrimidine-4-carbonitrile
CID 107543618
2-[cyclopentyl(ethyl)amino]-6-methylpyrimidine-4-carbonitrile
CID 107543687
2-[cyclopropylmethyl(propan-2-yl)amino]-6-methylpyrimidine-4-carbonitrile
CID 107544097
6-methyl-2-[methyl(piperidin-4-ylmethyl)amino]pyrimidine-4-carbonitrile
CID 107552634
6-bromo-2-N-(4,4-dimethylcyclohexyl)-2-N-methylpyrimidine-2,4-diamine
CID 116797087
2-[ethyl(propan-2-yl)amino]-6-methylpyrimidine-4-carbonitrile
CID 107543609
2-[(4-cyano-6-methylpyrimidin-2-yl)-methylamino]propanoic acid
CID 107542940
6-methyl-2-[piperidin-4-ylmethyl(propan-2-yl)amino]pyrimidine-4-carbonitrile
CID 107552639
6-[cyclopentyl(methyl)amino]-2-methylpyrimidine-4-carbonitrile
CID 115143281
2-[[2-(aminomethyl)cyclopentyl]-ethylamino]-6-methylpyrimidine-4-carbonitrile
CID 107552593
2-[1,4-dioxaspiro[4.5]decan-8-yl(methyl)amino]-6-methylpyridine-4-carbonitrile
CID 114768259
2-[(4-cyano-6-methylpyrimidin-2-yl)-methylamino]butanoic acid
CID 107542920

Frequently Asked Questions

What is the IUPAC name of 2-[(4,4-dimethylcyclohexyl)-methylamino]-6-methylpyrimidine-4-carbonitrile?
The IUPAC name of 2-[(4,4-dimethylcyclohexyl)-methylamino]-6-methylpyrimidine-4-carbonitrile (CID 107544849) is 2-[(4,4-dimethylcyclohexyl)-methylamino]-6-methylpyrimidine-4-carbonitrile.
What is the SMILES notation for 2-[(4,4-dimethylcyclohexyl)-methylamino]-6-methylpyrimidine-4-carbonitrile?
The canonical SMILES for 2-[(4,4-dimethylcyclohexyl)-methylamino]-6-methylpyrimidine-4-carbonitrile is Cc1cc(C#N)nc(N(C)C2CCC(C)(C)CC2)n1.
What is the InChIKey of 2-[(4,4-dimethylcyclohexyl)-methylamino]-6-methylpyrimidine-4-carbonitrile?
The InChIKey is NFEUICQPVSDPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-11-9-12(10-16)18-14(17-11)19(4)13-5-7-15(2,3)8-6-13/h9,13H,5-8H2,1-4H3.
What are the key properties of 2-[(4,4-dimethylcyclohexyl)-methylamino]-6-methylpyrimidine-4-carbonitrile?
2-[(4,4-dimethylcyclohexyl)-methylamino]-6-methylpyrimidine-4-carbonitrile has a molecular weight of 258.37 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,4-dimethylcyclohexyl)-methylamino]-6-methylpyrimidine-4-carbonitrile is sourced from PubChem (CID 107544849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).