N-cyclohexyl-6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-amine

C18H30N4 — CID 112869044

IUPACN-cyclohexyl-6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-amine
SMILESCCC1CCCCN1c1cc(NC2CCCCC2)nc(C)n1
InChIInChI=1S/C18H30N4/c1-3-16-11-7-8-12-22(16)18-13-17(19-14(2)20-18)21-15-9-5-4-6-10-15/h13,15-16H,3-12H2,1-2H3,(H,19,20,21)
InChIKeyCVNKSAARQPMHMM-UHFFFAOYSA-N
MW302.47 g/mol
LogP4.30
Rot. Bonds4

About N-cyclohexyl-6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-amine

N-cyclohexyl-6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-amine (PubChem CID 112869044) has the molecular formula C18H30N4 and a molecular weight of 302.47 g/mol. Its IUPAC name is N-cyclohexyl-6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclohexyl-6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-amine
PubChem CID112869044
Molecular FormulaC18H30N4
Molecular Weight302.47 g/mol
Exact Mass302.25
IUPAC NameN-cyclohexyl-6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-amine
SMILESCCC1CCCCN1c1cc(NC2CCCCC2)nc(C)n1
InChIInChI=1S/C18H30N4/c1-3-16-11-7-8-12-22(16)18-13-17(19-14(2)20-18)21-15-9-5-4-6-10-15/h13,15-16H,3-12H2,1-2H3,(H,19,20,21)
InChIKeyCVNKSAARQPMHMM-UHFFFAOYSA-N
XLogP4.30
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.47
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4,6-bis(2-ethylpiperidin-1-yl)-2-methylpyrimidine
CID 112876455
6-(2-ethylpiperidin-1-yl)-2-methyl-N-propan-2-ylpyrimidin-4-amine
CID 112867342
N-cyclohexyl-6-(2-ethylpiperidin-1-yl)pyrimidin-4-amine
CID 112856254
6-(2-ethylpiperidin-1-yl)-2-methyl-N-(1-phenylethyl)pyrimidin-4-amine
CID 112872082
N-(3,5-dimethylphenyl)-6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-amine
CID 112876471
N-(3,4-dimethylphenyl)-6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-amine
CID 112876470
N-cyclopentyl-2-methyl-6-piperidin-1-ylpyrimidin-4-amine
CID 112868596
6-(2-ethylpiperidin-1-yl)-N-(4-methoxyphenyl)-2-methylpyrimidin-4-amine
CID 112876488
N-(3-bromophenyl)-6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-amine
CID 112876515
N-[6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine
CID 112870575
2-[[6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-yl]amino]benzonitrile
CID 112876525
1-[4-[[6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-yl]amino]phenyl]ethanone
CID 112876501

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-amine?
The IUPAC name of N-cyclohexyl-6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-amine (CID 112869044) is N-cyclohexyl-6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-amine.
What is the SMILES notation for N-cyclohexyl-6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-amine?
The canonical SMILES for N-cyclohexyl-6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-amine is CCC1CCCCN1c1cc(NC2CCCCC2)nc(C)n1.
What is the InChIKey of N-cyclohexyl-6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-amine?
The InChIKey is CVNKSAARQPMHMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4/c1-3-16-11-7-8-12-22(16)18-13-17(19-14(2)20-18)21-15-9-5-4-6-10-15/h13,15-16H,3-12H2,1-2H3,(H,19,20,21).
What are the key properties of N-cyclohexyl-6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-amine?
N-cyclohexyl-6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-amine has a molecular weight of 302.47 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-amine is sourced from PubChem (CID 112869044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).