5-(2,4-dimethylphenyl)-2-methylpyrimidin-4-amine

C13H15N3 — CID 82284415

IUPAC5-(2,4-dimethylphenyl)-2-methylpyrimidin-4-amine
SMILESCc1ccc(-c2cnc(C)nc2N)c(C)c1
InChIInChI=1S/C13H15N3/c1-8-4-5-11(9(2)6-8)12-7-15-10(3)16-13(12)14/h4-7H,1-3H3,(H2,14,15,16)
InChIKeyDXWZDQNOKDCQEH-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.65
Rot. Bonds1

About 5-(2,4-dimethylphenyl)-2-methylpyrimidin-4-amine

5-(2,4-dimethylphenyl)-2-methylpyrimidin-4-amine (PubChem CID 82284415) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 5-(2,4-dimethylphenyl)-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-(2,4-dimethylphenyl)-2-methylpyrimidin-4-amine
PubChem CID82284415
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC Name5-(2,4-dimethylphenyl)-2-methylpyrimidin-4-amine
SMILESCc1ccc(-c2cnc(C)nc2N)c(C)c1
InChIInChI=1S/C13H15N3/c1-8-4-5-11(9(2)6-8)12-7-15-10(3)16-13(12)14/h4-7H,1-3H3,(H2,14,15,16)
InChIKeyDXWZDQNOKDCQEH-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 5-(2,4-dimethylphenyl)-2-methylpyrimidin-4-amine?
The IUPAC name of 5-(2,4-dimethylphenyl)-2-methylpyrimidin-4-amine (CID 82284415) is 5-(2,4-dimethylphenyl)-2-methylpyrimidin-4-amine.
What is the SMILES notation for 5-(2,4-dimethylphenyl)-2-methylpyrimidin-4-amine?
The canonical SMILES for 5-(2,4-dimethylphenyl)-2-methylpyrimidin-4-amine is Cc1ccc(-c2cnc(C)nc2N)c(C)c1.
What is the InChIKey of 5-(2,4-dimethylphenyl)-2-methylpyrimidin-4-amine?
The InChIKey is DXWZDQNOKDCQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c1-8-4-5-11(9(2)6-8)12-7-15-10(3)16-13(12)14/h4-7H,1-3H3,(H2,14,15,16).
What are the key properties of 5-(2,4-dimethylphenyl)-2-methylpyrimidin-4-amine?
5-(2,4-dimethylphenyl)-2-methylpyrimidin-4-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 5-(2,4-dimethylphenyl)-2-methylpyrimidin-4-amine is sourced from PubChem (CID 82284415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).