[2-(1-methoxy-3-methylcyclohexyl)-4-methylpyrimidin-5-yl]methanamine

C14H23N3O — CID 114205933

IUPAC[2-(1-methoxy-3-methylcyclohexyl)-4-methylpyrimidin-5-yl]methanamine
SMILESCOC1(c2ncc(CN)c(C)n2)CCCC(C)C1
InChIInChI=1S/C14H23N3O/c1-10-5-4-6-14(7-10,18-3)13-16-9-12(8-15)11(2)17-13/h9-10H,4-8,15H2,1-3H3
InChIKeyDPQINIHNTCVELG-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.30
Rot. Bonds3

About [2-(1-methoxy-3-methylcyclohexyl)-4-methylpyrimidin-5-yl]methanamine

[2-(1-methoxy-3-methylcyclohexyl)-4-methylpyrimidin-5-yl]methanamine (PubChem CID 114205933) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is [2-(1-methoxy-3-methylcyclohexyl)-4-methylpyrimidin-5-yl]methanamine.

Molecular Properties

Compound Name[2-(1-methoxy-3-methylcyclohexyl)-4-methylpyrimidin-5-yl]methanamine
PubChem CID114205933
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name[2-(1-methoxy-3-methylcyclohexyl)-4-methylpyrimidin-5-yl]methanamine
SMILESCOC1(c2ncc(CN)c(C)n2)CCCC(C)C1
InChIInChI=1S/C14H23N3O/c1-10-5-4-6-14(7-10,18-3)13-16-9-12(8-15)11(2)17-13/h9-10H,4-8,15H2,1-3H3
InChIKeyDPQINIHNTCVELG-UHFFFAOYSA-N
XLogP2.30
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-5-iodo-2-(1-methoxy-3-methylcyclohexyl)pyrimidin-4-amine
CID 116777128
2-(1-methoxy-3-methylcyclohexyl)-6-methyl-5-propan-2-ylpyrimidin-4-amine
CID 116776210
[2-(1-methoxycyclopentyl)-4-propylpyrimidin-5-yl]methanamine
CID 114206006
2-(1-methoxy-3-methylcyclohexyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 116775498
5-(chloromethyl)-2-(1-methoxy-3-methylcyclohexyl)-1H-pyrimidin-6-one
CID 114205199
4-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 116742762
2-[2-(1-ethoxy-3-methylcyclohexyl)pyrimidin-5-yl]ethanamine
CID 116779223
5-bromo-4-chloro-6-(methoxymethyl)-2-(1-methoxy-3-methylcyclohexyl)pyrimidine
CID 116746257
4-chloro-5-iodo-6-(methoxymethyl)-2-(1-methoxy-3-methylcyclohexyl)pyrimidine
CID 116746275
2-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol
CID 116780818
4-chloro-6-cyclopropyl-2-(1-methoxy-3-methylcyclohexyl)pyrimidine
CID 116745914
N-tert-butyl-3-(1-methoxy-3-methylcyclohexyl)-1,2,4-thiadiazol-5-amine
CID 116782368

Frequently Asked Questions

What is the IUPAC name of [2-(1-methoxy-3-methylcyclohexyl)-4-methylpyrimidin-5-yl]methanamine?
The IUPAC name of [2-(1-methoxy-3-methylcyclohexyl)-4-methylpyrimidin-5-yl]methanamine (CID 114205933) is [2-(1-methoxy-3-methylcyclohexyl)-4-methylpyrimidin-5-yl]methanamine.
What is the SMILES notation for [2-(1-methoxy-3-methylcyclohexyl)-4-methylpyrimidin-5-yl]methanamine?
The canonical SMILES for [2-(1-methoxy-3-methylcyclohexyl)-4-methylpyrimidin-5-yl]methanamine is COC1(c2ncc(CN)c(C)n2)CCCC(C)C1.
What is the InChIKey of [2-(1-methoxy-3-methylcyclohexyl)-4-methylpyrimidin-5-yl]methanamine?
The InChIKey is DPQINIHNTCVELG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-10-5-4-6-14(7-10,18-3)13-16-9-12(8-15)11(2)17-13/h9-10H,4-8,15H2,1-3H3.
What are the key properties of [2-(1-methoxy-3-methylcyclohexyl)-4-methylpyrimidin-5-yl]methanamine?
[2-(1-methoxy-3-methylcyclohexyl)-4-methylpyrimidin-5-yl]methanamine has a molecular weight of 249.36 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-methoxy-3-methylcyclohexyl)-4-methylpyrimidin-5-yl]methanamine is sourced from PubChem (CID 114205933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).