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

C15H13FN4S — CID 6539284

IUPAC4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-fluorophenyl)pyrimidin-2-amine
SMILESCc1nc(C)c(-c2ccnc(Nc3ccccc3F)n2)s1
InChIInChI=1S/C15H13FN4S/c1-9-14(21-10(2)18-9)13-7-8-17-15(20-13)19-12-6-4-3-5-11(12)16/h3-8H,1-2H3,(H,17,19,20)
InChIKeyHOKDXVAONYXHJK-UHFFFAOYSA-N
MW300.36 g/mol
LogP4.10
Rot. Bonds3

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

4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-fluorophenyl)pyrimidin-2-amine (PubChem CID 6539284) has the molecular formula C15H13FN4S and a molecular weight of 300.36 g/mol. Its IUPAC name is 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-fluorophenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-fluorophenyl)pyrimidin-2-amine
PubChem CID6539284
Molecular FormulaC15H13FN4S
Molecular Weight300.36 g/mol
Exact Mass300.08
IUPAC Name4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-fluorophenyl)pyrimidin-2-amine
SMILESCc1nc(C)c(-c2ccnc(Nc3ccccc3F)n2)s1
InChIInChI=1S/C15H13FN4S/c1-9-14(21-10(2)18-9)13-7-8-17-15(20-13)19-12-6-4-3-5-11(12)16/h3-8H,1-2H3,(H,17,19,20)
InChIKeyHOKDXVAONYXHJK-UHFFFAOYSA-N
XLogP4.10
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-fluorophenyl)pyrimidin-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-(2-fluorophenyl)pyrimidin-2-amine?
The IUPAC name of 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-fluorophenyl)pyrimidin-2-amine (CID 6539284) is 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-fluorophenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-fluorophenyl)pyrimidin-2-amine?
The canonical SMILES for 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-fluorophenyl)pyrimidin-2-amine is Cc1nc(C)c(-c2ccnc(Nc3ccccc3F)n2)s1.
What is the InChIKey of 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-fluorophenyl)pyrimidin-2-amine?
The InChIKey is HOKDXVAONYXHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4S/c1-9-14(21-10(2)18-9)13-7-8-17-15(20-13)19-12-6-4-3-5-11(12)16/h3-8H,1-2H3,(H,17,19,20).
What are the key properties of 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-fluorophenyl)pyrimidin-2-amine?
4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-fluorophenyl)pyrimidin-2-amine has a molecular weight of 300.36 g/mol, XLogP of 4.10, 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-(2-fluorophenyl)pyrimidin-2-amine is sourced from PubChem (CID 6539284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).