N-cyclohexyl-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine

C16H26N4 — CID 112884924

IUPACN-cyclohexyl-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine
SMILESCC1CCN(c2ccnc(NC3CCCCC3)n2)CC1
InChIInChI=1S/C16H26N4/c1-13-8-11-20(12-9-13)15-7-10-17-16(19-15)18-14-5-3-2-4-6-14/h7,10,13-14H,2-6,8-9,11-12H2,1H3,(H,17,18,19)
InChIKeyXZGPFOUNCXWSMX-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.46
Rot. Bonds3

About N-cyclohexyl-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine

N-cyclohexyl-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine (PubChem CID 112884924) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is N-cyclohexyl-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-cyclohexyl-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine
PubChem CID112884924
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC NameN-cyclohexyl-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine
SMILESCC1CCN(c2ccnc(NC3CCCCC3)n2)CC1
InChIInChI=1S/C16H26N4/c1-13-8-11-20(12-9-13)15-7-10-17-16(19-15)18-14-5-3-2-4-6-14/h7,10,13-14H,2-6,8-9,11-12H2,1H3,(H,17,18,19)
InChIKeyXZGPFOUNCXWSMX-UHFFFAOYSA-N
XLogP3.46
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-4-(4-ethylpiperazin-1-yl)pyrimidin-2-amine
CID 112884933
N-cyclopentyl-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 58227252
N-cycloheptyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112898738
N-cyclopentyl-4-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-amine
CID 112884384
4-(4-methylpiperidin-1-yl)-N-prop-2-enylpyrimidin-2-amine
CID 112882660
4-(3-aminopyrrolidin-1-yl)-N-cyclobutylpyrimidin-2-amine
CID 76709122
N-[4-(azepan-1-yl)pyrimidin-2-yl]-1-cycloheptylazepan-3-amine
CID 66904387
N-[4-(azepan-1-yl)pyrimidin-2-yl]-1-cyclopentylazepan-3-amine
CID 66903248
4-(azepan-1-yl)-N-piperidin-3-ylpyrimidin-2-amine
CID 66903769
N-butyl-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112882993
4-(azepan-1-yl)-N-(1-cyclooctylpyrrolidin-3-yl)pyrimidin-2-amine
CID 66904117
[2-(cycloheptylamino)pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109299197

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine?
The IUPAC name of N-cyclohexyl-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine (CID 112884924) is N-cyclohexyl-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine.
What is the SMILES notation for N-cyclohexyl-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine?
The canonical SMILES for N-cyclohexyl-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine is CC1CCN(c2ccnc(NC3CCCCC3)n2)CC1.
What is the InChIKey of N-cyclohexyl-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine?
The InChIKey is XZGPFOUNCXWSMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4/c1-13-8-11-20(12-9-13)15-7-10-17-16(19-15)18-14-5-3-2-4-6-14/h7,10,13-14H,2-6,8-9,11-12H2,1H3,(H,17,18,19).
What are the key properties of N-cyclohexyl-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine?
N-cyclohexyl-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine has a molecular weight of 274.41 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 112884924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).