4-(3,4-dimethylphenyl)-6-methylpyrimidin-2-amine

C13H15N3 — CID 62481951

IUPAC4-(3,4-dimethylphenyl)-6-methylpyrimidin-2-amine
SMILESCc1cc(-c2ccc(C)c(C)c2)nc(N)n1
InChIInChI=1S/C13H15N3/c1-8-4-5-11(6-9(8)2)12-7-10(3)15-13(14)16-12/h4-7H,1-3H3,(H2,14,15,16)
InChIKeyTVSLSEDSXAIBLW-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.65
Rot. Bonds1

About 4-(3,4-dimethylphenyl)-6-methylpyrimidin-2-amine

4-(3,4-dimethylphenyl)-6-methylpyrimidin-2-amine (PubChem CID 62481951) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 4-(3,4-dimethylphenyl)-6-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(3,4-dimethylphenyl)-6-methylpyrimidin-2-amine
PubChem CID62481951
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC Name4-(3,4-dimethylphenyl)-6-methylpyrimidin-2-amine
SMILESCc1cc(-c2ccc(C)c(C)c2)nc(N)n1
InChIInChI=1S/C13H15N3/c1-8-4-5-11(6-9(8)2)12-7-10(3)15-13(14)16-12/h4-7H,1-3H3,(H2,14,15,16)
InChIKeyTVSLSEDSXAIBLW-UHFFFAOYSA-N
XLogP2.65
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylphenyl)-6-methylpyrimidin-2-amine?
The IUPAC name of 4-(3,4-dimethylphenyl)-6-methylpyrimidin-2-amine (CID 62481951) is 4-(3,4-dimethylphenyl)-6-methylpyrimidin-2-amine.
What is the SMILES notation for 4-(3,4-dimethylphenyl)-6-methylpyrimidin-2-amine?
The canonical SMILES for 4-(3,4-dimethylphenyl)-6-methylpyrimidin-2-amine is Cc1cc(-c2ccc(C)c(C)c2)nc(N)n1.
What is the InChIKey of 4-(3,4-dimethylphenyl)-6-methylpyrimidin-2-amine?
The InChIKey is TVSLSEDSXAIBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c1-8-4-5-11(6-9(8)2)12-7-10(3)15-13(14)16-12/h4-7H,1-3H3,(H2,14,15,16).
What are the key properties of 4-(3,4-dimethylphenyl)-6-methylpyrimidin-2-amine?
4-(3,4-dimethylphenyl)-6-methylpyrimidin-2-amine has a molecular weight of 213.28 g/mol, XLogP of 2.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylphenyl)-6-methylpyrimidin-2-amine is sourced from PubChem (CID 62481951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).