2-chloro-5-fluoro-N-methyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine

C10H9ClFN3S — CID 79081737

IUPAC2-chloro-5-fluoro-N-methyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine
SMILESCN(Cc1ccsc1)c1nc(Cl)ncc1F
InChIInChI=1S/C10H9ClFN3S/c1-15(5-7-2-3-16-6-7)9-8(12)4-13-10(11)14-9/h2-4,6H,5H2,1H3
InChIKeyKNYIXSUIPXWAMJ-UHFFFAOYSA-N
MW257.72 g/mol
LogP2.97
Rot. Bonds3

About 2-chloro-5-fluoro-N-methyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine

2-chloro-5-fluoro-N-methyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine (PubChem CID 79081737) has the molecular formula C10H9ClFN3S and a molecular weight of 257.72 g/mol. Its IUPAC name is 2-chloro-5-fluoro-N-methyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-5-fluoro-N-methyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine
PubChem CID79081737
Molecular FormulaC10H9ClFN3S
Molecular Weight257.72 g/mol
Exact Mass257.02
IUPAC Name2-chloro-5-fluoro-N-methyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine
SMILESCN(Cc1ccsc1)c1nc(Cl)ncc1F
InChIInChI=1S/C10H9ClFN3S/c1-15(5-7-2-3-16-6-7)9-8(12)4-13-10(11)14-9/h2-4,6H,5H2,1H3
InChIKeyKNYIXSUIPXWAMJ-UHFFFAOYSA-N
XLogP2.97
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-chloro-5-fluoro-N-methyl-N-(thiophen-3-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 2-chloro-5-fluoro-N-methyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 2-chloro-5-fluoro-N-methyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine (CID 79081737) is 2-chloro-5-fluoro-N-methyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-5-fluoro-N-methyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 2-chloro-5-fluoro-N-methyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine is CN(Cc1ccsc1)c1nc(Cl)ncc1F.
What is the InChIKey of 2-chloro-5-fluoro-N-methyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine?
The InChIKey is KNYIXSUIPXWAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFN3S/c1-15(5-7-2-3-16-6-7)9-8(12)4-13-10(11)14-9/h2-4,6H,5H2,1H3.
What are the key properties of 2-chloro-5-fluoro-N-methyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine?
2-chloro-5-fluoro-N-methyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine has a molecular weight of 257.72 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-N-methyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 79081737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).