2-(4-methoxy-3-methylphenyl)-N,6-dimethylpyrimidin-4-amine

C14H17N3O — CID 62190799

IUPAC2-(4-methoxy-3-methylphenyl)-N,6-dimethylpyrimidin-4-amine
SMILESCNc1cc(C)nc(-c2ccc(OC)c(C)c2)n1
InChIInChI=1S/C14H17N3O/c1-9-7-11(5-6-12(9)18-4)14-16-10(2)8-13(15-3)17-14/h5-8H,1-4H3,(H,15,16,17)
InChIKeySCJHCVNQMRXQAP-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.81
Rot. Bonds3

About 2-(4-methoxy-3-methylphenyl)-N,6-dimethylpyrimidin-4-amine

2-(4-methoxy-3-methylphenyl)-N,6-dimethylpyrimidin-4-amine (PubChem CID 62190799) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-(4-methoxy-3-methylphenyl)-N,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-methoxy-3-methylphenyl)-N,6-dimethylpyrimidin-4-amine
PubChem CID62190799
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name2-(4-methoxy-3-methylphenyl)-N,6-dimethylpyrimidin-4-amine
SMILESCNc1cc(C)nc(-c2ccc(OC)c(C)c2)n1
InChIInChI=1S/C14H17N3O/c1-9-7-11(5-6-12(9)18-4)14-16-10(2)8-13(15-3)17-14/h5-8H,1-4H3,(H,15,16,17)
InChIKeySCJHCVNQMRXQAP-UHFFFAOYSA-N
XLogP2.81
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-3-methylphenyl)-N,6-dimethylpyrimidin-4-amine?
The IUPAC name of 2-(4-methoxy-3-methylphenyl)-N,6-dimethylpyrimidin-4-amine (CID 62190799) is 2-(4-methoxy-3-methylphenyl)-N,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for 2-(4-methoxy-3-methylphenyl)-N,6-dimethylpyrimidin-4-amine?
The canonical SMILES for 2-(4-methoxy-3-methylphenyl)-N,6-dimethylpyrimidin-4-amine is CNc1cc(C)nc(-c2ccc(OC)c(C)c2)n1.
What is the InChIKey of 2-(4-methoxy-3-methylphenyl)-N,6-dimethylpyrimidin-4-amine?
The InChIKey is SCJHCVNQMRXQAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-9-7-11(5-6-12(9)18-4)14-16-10(2)8-13(15-3)17-14/h5-8H,1-4H3,(H,15,16,17).
What are the key properties of 2-(4-methoxy-3-methylphenyl)-N,6-dimethylpyrimidin-4-amine?
2-(4-methoxy-3-methylphenyl)-N,6-dimethylpyrimidin-4-amine has a molecular weight of 243.31 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-3-methylphenyl)-N,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 62190799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).