[2-(3-methylcyclohexyl)oxypyrimidin-4-yl]methanamine

C12H19N3O — CID 107542543

IUPAC[2-(3-methylcyclohexyl)oxypyrimidin-4-yl]methanamine
SMILESCC1CCCC(Oc2nccc(CN)n2)C1
InChIInChI=1S/C12H19N3O/c1-9-3-2-4-11(7-9)16-12-14-6-5-10(8-13)15-12/h5-6,9,11H,2-4,7-8,13H2,1H3
InChIKeySKLLYJUMYCXITK-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.89
Rot. Bonds3

About [2-(3-methylcyclohexyl)oxypyrimidin-4-yl]methanamine

[2-(3-methylcyclohexyl)oxypyrimidin-4-yl]methanamine (PubChem CID 107542543) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is [2-(3-methylcyclohexyl)oxypyrimidin-4-yl]methanamine.

Molecular Properties

Compound Name[2-(3-methylcyclohexyl)oxypyrimidin-4-yl]methanamine
PubChem CID107542543
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name[2-(3-methylcyclohexyl)oxypyrimidin-4-yl]methanamine
SMILESCC1CCCC(Oc2nccc(CN)n2)C1
InChIInChI=1S/C12H19N3O/c1-9-3-2-4-11(7-9)16-12-14-6-5-10(8-13)15-12/h5-6,9,11H,2-4,7-8,13H2,1H3
InChIKeySKLLYJUMYCXITK-UHFFFAOYSA-N
XLogP1.89
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(3-methylcyclohexyl)oxypyrimidin-4-yl]methanamine?
The IUPAC name of [2-(3-methylcyclohexyl)oxypyrimidin-4-yl]methanamine (CID 107542543) is [2-(3-methylcyclohexyl)oxypyrimidin-4-yl]methanamine.
What is the SMILES notation for [2-(3-methylcyclohexyl)oxypyrimidin-4-yl]methanamine?
The canonical SMILES for [2-(3-methylcyclohexyl)oxypyrimidin-4-yl]methanamine is CC1CCCC(Oc2nccc(CN)n2)C1.
What is the InChIKey of [2-(3-methylcyclohexyl)oxypyrimidin-4-yl]methanamine?
The InChIKey is SKLLYJUMYCXITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-9-3-2-4-11(7-9)16-12-14-6-5-10(8-13)15-12/h5-6,9,11H,2-4,7-8,13H2,1H3.
What are the key properties of [2-(3-methylcyclohexyl)oxypyrimidin-4-yl]methanamine?
[2-(3-methylcyclohexyl)oxypyrimidin-4-yl]methanamine has a molecular weight of 221.30 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methylcyclohexyl)oxypyrimidin-4-yl]methanamine is sourced from PubChem (CID 107542543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).