6-tert-butyl-2-(4-methoxy-3-methylphenyl)-N-methylpyrimidin-4-amine

C17H23N3O — CID 62203294

IUPAC6-tert-butyl-2-(4-methoxy-3-methylphenyl)-N-methylpyrimidin-4-amine
SMILESCNc1cc(C(C)(C)C)nc(-c2ccc(OC)c(C)c2)n1
InChIInChI=1S/C17H23N3O/c1-11-9-12(7-8-13(11)21-6)16-19-14(17(2,3)4)10-15(18-5)20-16/h7-10H,1-6H3,(H,18,19,20)
InChIKeyCHAFDBADPIKQIK-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.80
Rot. Bonds3

About 6-tert-butyl-2-(4-methoxy-3-methylphenyl)-N-methylpyrimidin-4-amine

6-tert-butyl-2-(4-methoxy-3-methylphenyl)-N-methylpyrimidin-4-amine (PubChem CID 62203294) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 6-tert-butyl-2-(4-methoxy-3-methylphenyl)-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-tert-butyl-2-(4-methoxy-3-methylphenyl)-N-methylpyrimidin-4-amine
PubChem CID62203294
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name6-tert-butyl-2-(4-methoxy-3-methylphenyl)-N-methylpyrimidin-4-amine
SMILESCNc1cc(C(C)(C)C)nc(-c2ccc(OC)c(C)c2)n1
InChIInChI=1S/C17H23N3O/c1-11-9-12(7-8-13(11)21-6)16-19-14(17(2,3)4)10-15(18-5)20-16/h7-10H,1-6H3,(H,18,19,20)
InChIKeyCHAFDBADPIKQIK-UHFFFAOYSA-N
XLogP3.80
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-(4-methoxy-3-methylphenyl)-N-methylpyrimidin-4-amine?
The IUPAC name of 6-tert-butyl-2-(4-methoxy-3-methylphenyl)-N-methylpyrimidin-4-amine (CID 62203294) is 6-tert-butyl-2-(4-methoxy-3-methylphenyl)-N-methylpyrimidin-4-amine.
What is the SMILES notation for 6-tert-butyl-2-(4-methoxy-3-methylphenyl)-N-methylpyrimidin-4-amine?
The canonical SMILES for 6-tert-butyl-2-(4-methoxy-3-methylphenyl)-N-methylpyrimidin-4-amine is CNc1cc(C(C)(C)C)nc(-c2ccc(OC)c(C)c2)n1.
What is the InChIKey of 6-tert-butyl-2-(4-methoxy-3-methylphenyl)-N-methylpyrimidin-4-amine?
The InChIKey is CHAFDBADPIKQIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-11-9-12(7-8-13(11)21-6)16-19-14(17(2,3)4)10-15(18-5)20-16/h7-10H,1-6H3,(H,18,19,20).
What are the key properties of 6-tert-butyl-2-(4-methoxy-3-methylphenyl)-N-methylpyrimidin-4-amine?
6-tert-butyl-2-(4-methoxy-3-methylphenyl)-N-methylpyrimidin-4-amine has a molecular weight of 285.39 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-(4-methoxy-3-methylphenyl)-N-methylpyrimidin-4-amine is sourced from PubChem (CID 62203294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).