4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-phenylpyrimidin-2-amine

C15H14N4S — CID 6539280

IUPAC4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-phenylpyrimidin-2-amine
SMILESCc1nc(C)c(-c2ccnc(Nc3ccccc3)n2)s1
InChIInChI=1S/C15H14N4S/c1-10-14(20-11(2)17-10)13-8-9-16-15(19-13)18-12-6-4-3-5-7-12/h3-9H,1-2H3,(H,16,18,19)
InChIKeyCKJOPHUBYHDSMD-UHFFFAOYSA-N
MW282.37 g/mol
LogP3.96
Rot. Bonds3

About 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-phenylpyrimidin-2-amine

4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-phenylpyrimidin-2-amine (PubChem CID 6539280) has the molecular formula C15H14N4S and a molecular weight of 282.37 g/mol. Its IUPAC name is 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-phenylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-phenylpyrimidin-2-amine
PubChem CID6539280
Molecular FormulaC15H14N4S
Molecular Weight282.37 g/mol
Exact Mass282.09
IUPAC Name4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-phenylpyrimidin-2-amine
SMILESCc1nc(C)c(-c2ccnc(Nc3ccccc3)n2)s1
InChIInChI=1S/C15H14N4S/c1-10-14(20-11(2)17-10)13-8-9-16-15(19-13)18-12-6-4-3-5-7-12/h3-9H,1-2H3,(H,16,18,19)
InChIKeyCKJOPHUBYHDSMD-UHFFFAOYSA-N
XLogP3.96
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-phenylpyrimidin-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-dimethyl-1,3-thiazol-5-yl)-N-phenylpyrimidin-2-amine?
The IUPAC name of 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-phenylpyrimidin-2-amine (CID 6539280) is 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-phenylpyrimidin-2-amine.
What is the SMILES notation for 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-phenylpyrimidin-2-amine?
The canonical SMILES for 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-phenylpyrimidin-2-amine is Cc1nc(C)c(-c2ccnc(Nc3ccccc3)n2)s1.
What is the InChIKey of 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-phenylpyrimidin-2-amine?
The InChIKey is CKJOPHUBYHDSMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4S/c1-10-14(20-11(2)17-10)13-8-9-16-15(19-13)18-12-6-4-3-5-7-12/h3-9H,1-2H3,(H,16,18,19).
What are the key properties of 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-phenylpyrimidin-2-amine?
4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-phenylpyrimidin-2-amine has a molecular weight of 282.37 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-phenylpyrimidin-2-amine is sourced from PubChem (CID 6539280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).