2-chloro-5-fluoro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine

C10H10ClFN4S — CID 79076508

IUPAC2-chloro-5-fluoro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine
SMILESCc1ncsc1CN(C)c1nc(Cl)ncc1F
InChIInChI=1S/C10H10ClFN4S/c1-6-8(17-5-14-6)4-16(2)9-7(12)3-13-10(11)15-9/h3,5H,4H2,1-2H3
InChIKeyDSOIXCUQTWVTLO-UHFFFAOYSA-N
MW272.74 g/mol
LogP2.67
Rot. Bonds3

About 2-chloro-5-fluoro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine

2-chloro-5-fluoro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine (PubChem CID 79076508) has the molecular formula C10H10ClFN4S and a molecular weight of 272.74 g/mol. Its IUPAC name is 2-chloro-5-fluoro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-5-fluoro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine
PubChem CID79076508
Molecular FormulaC10H10ClFN4S
Molecular Weight272.74 g/mol
Exact Mass272.03
IUPAC Name2-chloro-5-fluoro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine
SMILESCc1ncsc1CN(C)c1nc(Cl)ncc1F
InChIInChI=1S/C10H10ClFN4S/c1-6-8(17-5-14-6)4-16(2)9-7(12)3-13-10(11)15-9/h3,5H,4H2,1-2H3
InChIKeyDSOIXCUQTWVTLO-UHFFFAOYSA-N
XLogP2.67
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-chloro-5-fluoro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]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 2-chloro-5-fluoro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 2-chloro-5-fluoro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine (CID 79076508) is 2-chloro-5-fluoro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-5-fluoro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-5-fluoro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine is Cc1ncsc1CN(C)c1nc(Cl)ncc1F.
What is the InChIKey of 2-chloro-5-fluoro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine?
The InChIKey is DSOIXCUQTWVTLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFN4S/c1-6-8(17-5-14-6)4-16(2)9-7(12)3-13-10(11)15-9/h3,5H,4H2,1-2H3.
What are the key properties of 2-chloro-5-fluoro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine?
2-chloro-5-fluoro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine has a molecular weight of 272.74 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 79076508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).