[2-(3,3,5-trimethylcyclohexyl)oxypyrimidin-4-yl]methanamine

C14H23N3O — CID 107542531

IUPAC[2-(3,3,5-trimethylcyclohexyl)oxypyrimidin-4-yl]methanamine
SMILESCC1CC(Oc2nccc(CN)n2)CC(C)(C)C1
InChIInChI=1S/C14H23N3O/c1-10-6-12(8-14(2,3)7-10)18-13-16-5-4-11(9-15)17-13/h4-5,10,12H,6-9,15H2,1-3H3
InChIKeyKRURPVUMKQFJDD-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.53
Rot. Bonds3

About [2-(3,3,5-trimethylcyclohexyl)oxypyrimidin-4-yl]methanamine

[2-(3,3,5-trimethylcyclohexyl)oxypyrimidin-4-yl]methanamine (PubChem CID 107542531) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is [2-(3,3,5-trimethylcyclohexyl)oxypyrimidin-4-yl]methanamine.

Molecular Properties

Compound Name[2-(3,3,5-trimethylcyclohexyl)oxypyrimidin-4-yl]methanamine
PubChem CID107542531
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name[2-(3,3,5-trimethylcyclohexyl)oxypyrimidin-4-yl]methanamine
SMILESCC1CC(Oc2nccc(CN)n2)CC(C)(C)C1
InChIInChI=1S/C14H23N3O/c1-10-6-12(8-14(2,3)7-10)18-13-16-5-4-11(9-15)17-13/h4-5,10,12H,6-9,15H2,1-3H3
InChIKeyKRURPVUMKQFJDD-UHFFFAOYSA-N
XLogP2.53
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 ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(3,3,5-trimethylcyclohexyl)oxypyrimidin-4-yl]methanamine?
The IUPAC name of [2-(3,3,5-trimethylcyclohexyl)oxypyrimidin-4-yl]methanamine (CID 107542531) is [2-(3,3,5-trimethylcyclohexyl)oxypyrimidin-4-yl]methanamine.
What is the SMILES notation for [2-(3,3,5-trimethylcyclohexyl)oxypyrimidin-4-yl]methanamine?
The canonical SMILES for [2-(3,3,5-trimethylcyclohexyl)oxypyrimidin-4-yl]methanamine is CC1CC(Oc2nccc(CN)n2)CC(C)(C)C1.
What is the InChIKey of [2-(3,3,5-trimethylcyclohexyl)oxypyrimidin-4-yl]methanamine?
The InChIKey is KRURPVUMKQFJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-10-6-12(8-14(2,3)7-10)18-13-16-5-4-11(9-15)17-13/h4-5,10,12H,6-9,15H2,1-3H3.
What are the key properties of [2-(3,3,5-trimethylcyclohexyl)oxypyrimidin-4-yl]methanamine?
[2-(3,3,5-trimethylcyclohexyl)oxypyrimidin-4-yl]methanamine has a molecular weight of 249.36 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,3,5-trimethylcyclohexyl)oxypyrimidin-4-yl]methanamine is sourced from PubChem (CID 107542531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).