[1-(4-cyclohexylpyrimidin-2-yl)piperidin-2-yl]methanamine

C16H26N4 — CID 103279135

IUPAC[1-(4-cyclohexylpyrimidin-2-yl)piperidin-2-yl]methanamine
SMILESNCC1CCCCN1c1nccc(C2CCCCC2)n1
InChIInChI=1S/C16H26N4/c17-12-14-8-4-5-11-20(14)16-18-10-9-15(19-16)13-6-2-1-3-7-13/h9-10,13-14H,1-8,11-12,17H2
InChIKeyJKLYVDRTOJSKNJ-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.84
Rot. Bonds3

About [1-(4-cyclohexylpyrimidin-2-yl)piperidin-2-yl]methanamine

[1-(4-cyclohexylpyrimidin-2-yl)piperidin-2-yl]methanamine (PubChem CID 103279135) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is [1-(4-cyclohexylpyrimidin-2-yl)piperidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-(4-cyclohexylpyrimidin-2-yl)piperidin-2-yl]methanamine
PubChem CID103279135
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC Name[1-(4-cyclohexylpyrimidin-2-yl)piperidin-2-yl]methanamine
SMILESNCC1CCCCN1c1nccc(C2CCCCC2)n1
InChIInChI=1S/C16H26N4/c17-12-14-8-4-5-11-20(14)16-18-10-9-15(19-16)13-6-2-1-3-7-13/h9-10,13-14H,1-8,11-12,17H2
InChIKeyJKLYVDRTOJSKNJ-UHFFFAOYSA-N
XLogP2.84
TPSA55.04 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 ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[4-(oxolan-3-yl)pyrimidin-2-yl]pyrrolidin-2-yl]methanamine
CID 103279197
[(2R)-1-(4-chloropyrimidin-2-yl)piperidin-2-yl]methanamine
CID 97165385
[1-(4-ethoxypyrimidin-2-yl)piperidin-2-yl]methanamine
CID 112638544
[1-[4-(3-methylphenyl)pyrimidin-2-yl]piperidin-2-yl]methanamine
CID 103279176
[1-[4-(5-ethylthiophen-2-yl)pyrimidin-2-yl]piperidin-2-yl]methanamine
CID 103279137
[2-(2-ethylazepan-1-yl)pyrimidin-4-yl]methanamine
CID 107542232
[1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]methanamine
CID 62593689
[1-[4-(4-chlorophenyl)pyrimidin-2-yl]pyrrolidin-2-yl]methanamine
CID 103279291
[1-(1,2,4-triazin-3-yl)piperidin-2-yl]methanamine
CID 83830456
[1-[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]pyrrolidin-2-yl]methanamine
CID 103279299
[1-(4-aminopyrimidin-2-yl)azepan-2-yl]methanol
CID 116797534
(1-isoquinolin-1-ylazepan-2-yl)methanamine
CID 116640341

Frequently Asked Questions

What is the IUPAC name of [1-(4-cyclohexylpyrimidin-2-yl)piperidin-2-yl]methanamine?
The IUPAC name of [1-(4-cyclohexylpyrimidin-2-yl)piperidin-2-yl]methanamine (CID 103279135) is [1-(4-cyclohexylpyrimidin-2-yl)piperidin-2-yl]methanamine.
What is the SMILES notation for [1-(4-cyclohexylpyrimidin-2-yl)piperidin-2-yl]methanamine?
The canonical SMILES for [1-(4-cyclohexylpyrimidin-2-yl)piperidin-2-yl]methanamine is NCC1CCCCN1c1nccc(C2CCCCC2)n1.
What is the InChIKey of [1-(4-cyclohexylpyrimidin-2-yl)piperidin-2-yl]methanamine?
The InChIKey is JKLYVDRTOJSKNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4/c17-12-14-8-4-5-11-20(14)16-18-10-9-15(19-16)13-6-2-1-3-7-13/h9-10,13-14H,1-8,11-12,17H2.
What are the key properties of [1-(4-cyclohexylpyrimidin-2-yl)piperidin-2-yl]methanamine?
[1-(4-cyclohexylpyrimidin-2-yl)piperidin-2-yl]methanamine has a molecular weight of 274.41 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-cyclohexylpyrimidin-2-yl)piperidin-2-yl]methanamine is sourced from PubChem (CID 103279135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).