4-(2,4-dimethylphenyl)sulfanylpyrimidin-2-amine

C12H13N3S — CID 80882423

IUPAC4-(2,4-dimethylphenyl)sulfanylpyrimidin-2-amine
SMILESCc1ccc(Sc2ccnc(N)n2)c(C)c1
InChIInChI=1S/C12H13N3S/c1-8-3-4-10(9(2)7-8)16-11-5-6-14-12(13)15-11/h3-7H,1-2H3,(H2,13,14,15)
InChIKeySXNXBDASEWKUNU-UHFFFAOYSA-N
MW231.32 g/mol
LogP2.83
Rot. Bonds2

About 4-(2,4-dimethylphenyl)sulfanylpyrimidin-2-amine

4-(2,4-dimethylphenyl)sulfanylpyrimidin-2-amine (PubChem CID 80882423) has the molecular formula C12H13N3S and a molecular weight of 231.32 g/mol. Its IUPAC name is 4-(2,4-dimethylphenyl)sulfanylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(2,4-dimethylphenyl)sulfanylpyrimidin-2-amine
PubChem CID80882423
Molecular FormulaC12H13N3S
Molecular Weight231.32 g/mol
Exact Mass231.08
IUPAC Name4-(2,4-dimethylphenyl)sulfanylpyrimidin-2-amine
SMILESCc1ccc(Sc2ccnc(N)n2)c(C)c1
InChIInChI=1S/C12H13N3S/c1-8-3-4-10(9(2)7-8)16-11-5-6-14-12(13)15-11/h3-7H,1-2H3,(H2,13,14,15)
InChIKeySXNXBDASEWKUNU-UHFFFAOYSA-N
XLogP2.83
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(2,4-dimethylphenyl)sulfanylpyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethylphenyl)sulfanylpyrimidin-2-amine?
The IUPAC name of 4-(2,4-dimethylphenyl)sulfanylpyrimidin-2-amine (CID 80882423) is 4-(2,4-dimethylphenyl)sulfanylpyrimidin-2-amine.
What is the SMILES notation for 4-(2,4-dimethylphenyl)sulfanylpyrimidin-2-amine?
The canonical SMILES for 4-(2,4-dimethylphenyl)sulfanylpyrimidin-2-amine is Cc1ccc(Sc2ccnc(N)n2)c(C)c1.
What is the InChIKey of 4-(2,4-dimethylphenyl)sulfanylpyrimidin-2-amine?
The InChIKey is SXNXBDASEWKUNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3S/c1-8-3-4-10(9(2)7-8)16-11-5-6-14-12(13)15-11/h3-7H,1-2H3,(H2,13,14,15).
What are the key properties of 4-(2,4-dimethylphenyl)sulfanylpyrimidin-2-amine?
4-(2,4-dimethylphenyl)sulfanylpyrimidin-2-amine has a molecular weight of 231.32 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethylphenyl)sulfanylpyrimidin-2-amine is sourced from PubChem (CID 80882423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).