2-methoxy-N-[[6-methyl-2-(3-methylcyclohexyl)pyrimidin-4-yl]methyl]ethanamine

C16H27N3O — CID 62745005

IUPAC2-methoxy-N-[[6-methyl-2-(3-methylcyclohexyl)pyrimidin-4-yl]methyl]ethanamine
SMILESCOCCNCc1cc(C)nc(C2CCCC(C)C2)n1
InChIInChI=1S/C16H27N3O/c1-12-5-4-6-14(9-12)16-18-13(2)10-15(19-16)11-17-7-8-20-3/h10,12,14,17H,4-9,11H2,1-3H3
InChIKeyLTFTUZOHRJHHHS-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.81
Rot. Bonds6

About 2-methoxy-N-[[6-methyl-2-(3-methylcyclohexyl)pyrimidin-4-yl]methyl]ethanamine

2-methoxy-N-[[6-methyl-2-(3-methylcyclohexyl)pyrimidin-4-yl]methyl]ethanamine (PubChem CID 62745005) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-methoxy-N-[[6-methyl-2-(3-methylcyclohexyl)pyrimidin-4-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[6-methyl-2-(3-methylcyclohexyl)pyrimidin-4-yl]methyl]ethanamine
PubChem CID62745005
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name2-methoxy-N-[[6-methyl-2-(3-methylcyclohexyl)pyrimidin-4-yl]methyl]ethanamine
SMILESCOCCNCc1cc(C)nc(C2CCCC(C)C2)n1
InChIInChI=1S/C16H27N3O/c1-12-5-4-6-14(9-12)16-18-13(2)10-15(19-16)11-17-7-8-20-3/h10,12,14,17H,4-9,11H2,1-3H3
InChIKeyLTFTUZOHRJHHHS-UHFFFAOYSA-N
XLogP2.81
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[6-methyl-2-(3-methylcyclohexyl)pyrimidin-4-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[6-methyl-2-(3-methylcyclohexyl)pyrimidin-4-yl]methyl]ethanamine (CID 62745005) is 2-methoxy-N-[[6-methyl-2-(3-methylcyclohexyl)pyrimidin-4-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[6-methyl-2-(3-methylcyclohexyl)pyrimidin-4-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[6-methyl-2-(3-methylcyclohexyl)pyrimidin-4-yl]methyl]ethanamine is COCCNCc1cc(C)nc(C2CCCC(C)C2)n1.
What is the InChIKey of 2-methoxy-N-[[6-methyl-2-(3-methylcyclohexyl)pyrimidin-4-yl]methyl]ethanamine?
The InChIKey is LTFTUZOHRJHHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-12-5-4-6-14(9-12)16-18-13(2)10-15(19-16)11-17-7-8-20-3/h10,12,14,17H,4-9,11H2,1-3H3.
What are the key properties of 2-methoxy-N-[[6-methyl-2-(3-methylcyclohexyl)pyrimidin-4-yl]methyl]ethanamine?
2-methoxy-N-[[6-methyl-2-(3-methylcyclohexyl)pyrimidin-4-yl]methyl]ethanamine has a molecular weight of 277.41 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[6-methyl-2-(3-methylcyclohexyl)pyrimidin-4-yl]methyl]ethanamine is sourced from PubChem (CID 62745005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).