[1-(6-cyclohexylpyrimidin-4-yl)azetidin-3-yl]methanamine

C14H22N4 — CID 141272664

IUPAC[1-(6-cyclohexylpyrimidin-4-yl)azetidin-3-yl]methanamine
SMILESNCC1CN(c2cc(C3CCCCC3)ncn2)C1
InChIInChI=1S/C14H22N4/c15-7-11-8-18(9-11)14-6-13(16-10-17-14)12-4-2-1-3-5-12/h6,10-12H,1-5,7-9,15H2
InChIKeyXZKHFKSYTMKFJG-UHFFFAOYSA-N
MW246.36 g/mol
LogP1.92
Rot. Bonds3

About [1-(6-cyclohexylpyrimidin-4-yl)azetidin-3-yl]methanamine

[1-(6-cyclohexylpyrimidin-4-yl)azetidin-3-yl]methanamine (PubChem CID 141272664) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is [1-(6-cyclohexylpyrimidin-4-yl)azetidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-(6-cyclohexylpyrimidin-4-yl)azetidin-3-yl]methanamine
PubChem CID141272664
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name[1-(6-cyclohexylpyrimidin-4-yl)azetidin-3-yl]methanamine
SMILESNCC1CN(c2cc(C3CCCCC3)ncn2)C1
InChIInChI=1S/C14H22N4/c15-7-11-8-18(9-11)14-6-13(16-10-17-14)12-4-2-1-3-5-12/h6,10-12H,1-5,7-9,15H2
InChIKeyXZKHFKSYTMKFJG-UHFFFAOYSA-N
XLogP1.92
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(6-cyclopropylpyrimidin-4-yl)azetidin-3-yl]methanamine
CID 126848081
4-cyclohexyl-6-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]pyrimidine
CID 167796179
1-(6-cyclopropylpyrimidin-4-yl)azetidin-3-ol
CID 126850197
N-[[1-(6-cyclobutylpyrimidin-4-yl)azetidin-3-yl]methyl]-N-methylcyclopropanesulfonamide
CID 154582564
4,6-dicyclopentylpyrimidine
CID 71817735
4-cyclopropyl-6-[3-(methylsulfanylmethyl)piperidin-1-yl]pyrimidine
CID 72839959
4-cyclopropyl-6-[3-(imidazol-1-ylmethyl)azetidin-1-yl]pyrimidine
CID 154580669
[1-[6-(2-methylpropyl)pyrimidin-4-yl]azetidin-3-yl]methanamine
CID 126848573
4-cyclobutyl-6-(3-fluoropiperidin-1-yl)pyrimidine
CID 172880704
[(3R,5S)-1-(6-cyclopropylpyrimidin-4-yl)-5-[(dimethylamino)methyl]piperidin-3-yl]methanol
CID 133111471
7-(6-cyclobutylpyrimidin-4-yl)-7-azabicyclo[2.2.1]heptane
CID 171337916
5-(6-cyclobutylpyrimidin-4-yl)-2-(5-fluoro-2-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 163352817

Frequently Asked Questions

What is the IUPAC name of [1-(6-cyclohexylpyrimidin-4-yl)azetidin-3-yl]methanamine?
The IUPAC name of [1-(6-cyclohexylpyrimidin-4-yl)azetidin-3-yl]methanamine (CID 141272664) is [1-(6-cyclohexylpyrimidin-4-yl)azetidin-3-yl]methanamine.
What is the SMILES notation for [1-(6-cyclohexylpyrimidin-4-yl)azetidin-3-yl]methanamine?
The canonical SMILES for [1-(6-cyclohexylpyrimidin-4-yl)azetidin-3-yl]methanamine is NCC1CN(c2cc(C3CCCCC3)ncn2)C1.
What is the InChIKey of [1-(6-cyclohexylpyrimidin-4-yl)azetidin-3-yl]methanamine?
The InChIKey is XZKHFKSYTMKFJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c15-7-11-8-18(9-11)14-6-13(16-10-17-14)12-4-2-1-3-5-12/h6,10-12H,1-5,7-9,15H2.
What are the key properties of [1-(6-cyclohexylpyrimidin-4-yl)azetidin-3-yl]methanamine?
[1-(6-cyclohexylpyrimidin-4-yl)azetidin-3-yl]methanamine has a molecular weight of 246.36 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-cyclohexylpyrimidin-4-yl)azetidin-3-yl]methanamine is sourced from PubChem (CID 141272664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).