6-chloro-5-fluoro-2-methylsulfanyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine

C9H8ClFN4S2 — CID 86637013

IUPAC6-chloro-5-fluoro-2-methylsulfanyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine
SMILESCSc1nc(Cl)c(F)c(NCc2nccs2)n1
InChIInChI=1S/C9H8ClFN4S2/c1-16-9-14-7(10)6(11)8(15-9)13-4-5-12-2-3-17-5/h2-3H,4H2,1H3,(H,13,14,15)
InChIKeyZSWSQNHBKDTBJV-UHFFFAOYSA-N
MW290.78 g/mol
LogP3.06
Rot. Bonds4

About 6-chloro-5-fluoro-2-methylsulfanyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine

6-chloro-5-fluoro-2-methylsulfanyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine (PubChem CID 86637013) has the molecular formula C9H8ClFN4S2 and a molecular weight of 290.78 g/mol. Its IUPAC name is 6-chloro-5-fluoro-2-methylsulfanyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-5-fluoro-2-methylsulfanyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine
PubChem CID86637013
Molecular FormulaC9H8ClFN4S2
Molecular Weight290.78 g/mol
Exact Mass289.99
IUPAC Name6-chloro-5-fluoro-2-methylsulfanyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine
SMILESCSc1nc(Cl)c(F)c(NCc2nccs2)n1
InChIInChI=1S/C9H8ClFN4S2/c1-16-9-14-7(10)6(11)8(15-9)13-4-5-12-2-3-17-5/h2-3H,4H2,1H3,(H,13,14,15)
InChIKeyZSWSQNHBKDTBJV-UHFFFAOYSA-N
XLogP3.06
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.78
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-chloro-5-fluoro-2-methylsulfanyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-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 6-chloro-5-fluoro-2-methylsulfanyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-5-fluoro-2-methylsulfanyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine (CID 86637013) is 6-chloro-5-fluoro-2-methylsulfanyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-5-fluoro-2-methylsulfanyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-5-fluoro-2-methylsulfanyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine is CSc1nc(Cl)c(F)c(NCc2nccs2)n1.
What is the InChIKey of 6-chloro-5-fluoro-2-methylsulfanyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine?
The InChIKey is ZSWSQNHBKDTBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClFN4S2/c1-16-9-14-7(10)6(11)8(15-9)13-4-5-12-2-3-17-5/h2-3H,4H2,1H3,(H,13,14,15).
What are the key properties of 6-chloro-5-fluoro-2-methylsulfanyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine?
6-chloro-5-fluoro-2-methylsulfanyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine has a molecular weight of 290.78 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-fluoro-2-methylsulfanyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 86637013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).