2-tert-butyl-N-methyl-6-(3-methylcyclohexyl)oxypyrimidin-4-amine

C16H27N3O — CID 80965644

IUPAC2-tert-butyl-N-methyl-6-(3-methylcyclohexyl)oxypyrimidin-4-amine
SMILESCNc1cc(OC2CCCC(C)C2)nc(C(C)(C)C)n1
InChIInChI=1S/C16H27N3O/c1-11-7-6-8-12(9-11)20-14-10-13(17-5)18-15(19-14)16(2,3)4/h10-12H,6-9H2,1-5H3,(H,17,18,19)
InChIKeyLTDBDCBTIRWQSC-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.77
Rot. Bonds3

About 2-tert-butyl-N-methyl-6-(3-methylcyclohexyl)oxypyrimidin-4-amine

2-tert-butyl-N-methyl-6-(3-methylcyclohexyl)oxypyrimidin-4-amine (PubChem CID 80965644) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-tert-butyl-N-methyl-6-(3-methylcyclohexyl)oxypyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-N-methyl-6-(3-methylcyclohexyl)oxypyrimidin-4-amine
PubChem CID80965644
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name2-tert-butyl-N-methyl-6-(3-methylcyclohexyl)oxypyrimidin-4-amine
SMILESCNc1cc(OC2CCCC(C)C2)nc(C(C)(C)C)n1
InChIInChI=1S/C16H27N3O/c1-11-7-6-8-12(9-11)20-14-10-13(17-5)18-15(19-14)16(2,3)4/h10-12H,6-9H2,1-5H3,(H,17,18,19)
InChIKeyLTDBDCBTIRWQSC-UHFFFAOYSA-N
XLogP3.77
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-methyl-6-(3-methylcyclohexyl)oxypyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-N-methyl-6-(3-methylcyclohexyl)oxypyrimidin-4-amine (CID 80965644) is 2-tert-butyl-N-methyl-6-(3-methylcyclohexyl)oxypyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-N-methyl-6-(3-methylcyclohexyl)oxypyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-N-methyl-6-(3-methylcyclohexyl)oxypyrimidin-4-amine is CNc1cc(OC2CCCC(C)C2)nc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-N-methyl-6-(3-methylcyclohexyl)oxypyrimidin-4-amine?
The InChIKey is LTDBDCBTIRWQSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-11-7-6-8-12(9-11)20-14-10-13(17-5)18-15(19-14)16(2,3)4/h10-12H,6-9H2,1-5H3,(H,17,18,19).
What are the key properties of 2-tert-butyl-N-methyl-6-(3-methylcyclohexyl)oxypyrimidin-4-amine?
2-tert-butyl-N-methyl-6-(3-methylcyclohexyl)oxypyrimidin-4-amine has a molecular weight of 277.41 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-methyl-6-(3-methylcyclohexyl)oxypyrimidin-4-amine is sourced from PubChem (CID 80965644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).