6-methoxy-N-(2-methylcyclohexyl)-2-propan-2-ylpyrimidin-4-amine

C15H25N3O — CID 82453766

IUPAC6-methoxy-N-(2-methylcyclohexyl)-2-propan-2-ylpyrimidin-4-amine
SMILESCOc1cc(NC2CCCCC2C)nc(C(C)C)n1
InChIInChI=1S/C15H25N3O/c1-10(2)15-17-13(9-14(18-15)19-4)16-12-8-6-5-7-11(12)3/h9-12H,5-8H2,1-4H3,(H,16,17,18)
InChIKeyWSSDHPHBJDKCAA-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.60
Rot. Bonds4

About 6-methoxy-N-(2-methylcyclohexyl)-2-propan-2-ylpyrimidin-4-amine

6-methoxy-N-(2-methylcyclohexyl)-2-propan-2-ylpyrimidin-4-amine (PubChem CID 82453766) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 6-methoxy-N-(2-methylcyclohexyl)-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-methoxy-N-(2-methylcyclohexyl)-2-propan-2-ylpyrimidin-4-amine
PubChem CID82453766
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name6-methoxy-N-(2-methylcyclohexyl)-2-propan-2-ylpyrimidin-4-amine
SMILESCOc1cc(NC2CCCCC2C)nc(C(C)C)n1
InChIInChI=1S/C15H25N3O/c1-10(2)15-17-13(9-14(18-15)19-4)16-12-8-6-5-7-11(12)3/h9-12H,5-8H2,1-4H3,(H,16,17,18)
InChIKeyWSSDHPHBJDKCAA-UHFFFAOYSA-N
XLogP3.60
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-(2-methylcyclohexyl)-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-methoxy-N-(2-methylcyclohexyl)-2-propan-2-ylpyrimidin-4-amine (CID 82453766) is 6-methoxy-N-(2-methylcyclohexyl)-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-methoxy-N-(2-methylcyclohexyl)-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-methoxy-N-(2-methylcyclohexyl)-2-propan-2-ylpyrimidin-4-amine is COc1cc(NC2CCCCC2C)nc(C(C)C)n1.
What is the InChIKey of 6-methoxy-N-(2-methylcyclohexyl)-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is WSSDHPHBJDKCAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-10(2)15-17-13(9-14(18-15)19-4)16-12-8-6-5-7-11(12)3/h9-12H,5-8H2,1-4H3,(H,16,17,18).
What are the key properties of 6-methoxy-N-(2-methylcyclohexyl)-2-propan-2-ylpyrimidin-4-amine?
6-methoxy-N-(2-methylcyclohexyl)-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 263.38 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-(2-methylcyclohexyl)-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 82453766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).