[2-(1-methoxycyclohexyl)-6-methylpyrimidin-4-yl]methanamine

C13H21N3O — CID 116778602

IUPAC[2-(1-methoxycyclohexyl)-6-methylpyrimidin-4-yl]methanamine
SMILESCOC1(c2nc(C)cc(CN)n2)CCCCC1
InChIInChI=1S/C13H21N3O/c1-10-8-11(9-14)16-12(15-10)13(17-2)6-4-3-5-7-13/h8H,3-7,9,14H2,1-2H3
InChIKeyFVJZHISLTDOODY-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.05
Rot. Bonds3

About [2-(1-methoxycyclohexyl)-6-methylpyrimidin-4-yl]methanamine

[2-(1-methoxycyclohexyl)-6-methylpyrimidin-4-yl]methanamine (PubChem CID 116778602) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is [2-(1-methoxycyclohexyl)-6-methylpyrimidin-4-yl]methanamine.

Molecular Properties

Compound Name[2-(1-methoxycyclohexyl)-6-methylpyrimidin-4-yl]methanamine
PubChem CID116778602
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name[2-(1-methoxycyclohexyl)-6-methylpyrimidin-4-yl]methanamine
SMILESCOC1(c2nc(C)cc(CN)n2)CCCCC1
InChIInChI=1S/C13H21N3O/c1-10-8-11(9-14)16-12(15-10)13(17-2)6-4-3-5-7-13/h8H,3-7,9,14H2,1-2H3
InChIKeyFVJZHISLTDOODY-UHFFFAOYSA-N
XLogP2.05
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(chloromethyl)-2-(1-methoxycyclohexyl)-6-methylpyrimidine
CID 116779068
N-[[2-(1-methoxycyclopentyl)-6-methylpyrimidin-4-yl]methyl]cyclopropanamine
CID 104611857
2-(1-methoxycycloheptyl)-6-methylpyrimidine-4-carbaldehyde
CID 116778381
1-[2-(1-methoxy-4-methylcyclohexyl)-6-methylpyrimidin-4-yl]propan-2-amine
CID 116779189
4,6-dichloro-2-(1-methoxycycloheptyl)-5-methylpyrimidine
CID 116745969
[2-(1-methoxycyclopentyl)-6-(2-methylpropyl)pyrimidin-4-yl]hydrazine
CID 113432905
2-(1-methoxycycloheptyl)-6-propan-2-ylpyrimidin-4-amine
CID 116775665
[2-(1-methoxycyclobutyl)-6-(methoxymethyl)pyrimidin-4-yl]hydrazine
CID 116730395
4-chloro-2-(1-ethoxycyclohexyl)-6-methylpyrimidine
CID 116745682
6-ethyl-2-(1-methoxycyclohexyl)-5-methylpyrimidin-4-amine
CID 116776328
5-bromo-2-(1-methoxycyclohexyl)-6-methylpyrimidin-4-amine
CID 116776459
4-chloro-2-(1-methoxycyclohexyl)-6-propan-2-ylpyrimidine
CID 116745751

Frequently Asked Questions

What is the IUPAC name of [2-(1-methoxycyclohexyl)-6-methylpyrimidin-4-yl]methanamine?
The IUPAC name of [2-(1-methoxycyclohexyl)-6-methylpyrimidin-4-yl]methanamine (CID 116778602) is [2-(1-methoxycyclohexyl)-6-methylpyrimidin-4-yl]methanamine.
What is the SMILES notation for [2-(1-methoxycyclohexyl)-6-methylpyrimidin-4-yl]methanamine?
The canonical SMILES for [2-(1-methoxycyclohexyl)-6-methylpyrimidin-4-yl]methanamine is COC1(c2nc(C)cc(CN)n2)CCCCC1.
What is the InChIKey of [2-(1-methoxycyclohexyl)-6-methylpyrimidin-4-yl]methanamine?
The InChIKey is FVJZHISLTDOODY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-10-8-11(9-14)16-12(15-10)13(17-2)6-4-3-5-7-13/h8H,3-7,9,14H2,1-2H3.
What are the key properties of [2-(1-methoxycyclohexyl)-6-methylpyrimidin-4-yl]methanamine?
[2-(1-methoxycyclohexyl)-6-methylpyrimidin-4-yl]methanamine has a molecular weight of 235.33 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-methoxycyclohexyl)-6-methylpyrimidin-4-yl]methanamine is sourced from PubChem (CID 116778602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).