5-amino-6-chloro-3-[(5-ethylthiophen-2-yl)methyl]pyrimidin-4-one

C11H12ClN3OS — CID 114582544

IUPAC5-amino-6-chloro-3-[(5-ethylthiophen-2-yl)methyl]pyrimidin-4-one
SMILESCCc1ccc(Cn2cnc(Cl)c(N)c2=O)s1
InChIInChI=1S/C11H12ClN3OS/c1-2-7-3-4-8(17-7)5-15-6-14-10(12)9(13)11(15)16/h3-4,6H,2,5,13H2,1H3
InChIKeyDFSGKCATJBACPB-UHFFFAOYSA-N
MW269.76 g/mol
LogP2.15
Rot. Bonds3

About 5-amino-6-chloro-3-[(5-ethylthiophen-2-yl)methyl]pyrimidin-4-one

5-amino-6-chloro-3-[(5-ethylthiophen-2-yl)methyl]pyrimidin-4-one (PubChem CID 114582544) has the molecular formula C11H12ClN3OS and a molecular weight of 269.76 g/mol. Its IUPAC name is 5-amino-6-chloro-3-[(5-ethylthiophen-2-yl)methyl]pyrimidin-4-one.

Molecular Properties

Compound Name5-amino-6-chloro-3-[(5-ethylthiophen-2-yl)methyl]pyrimidin-4-one
PubChem CID114582544
Molecular FormulaC11H12ClN3OS
Molecular Weight269.76 g/mol
Exact Mass269.04
IUPAC Name5-amino-6-chloro-3-[(5-ethylthiophen-2-yl)methyl]pyrimidin-4-one
SMILESCCc1ccc(Cn2cnc(Cl)c(N)c2=O)s1
InChIInChI=1S/C11H12ClN3OS/c1-2-7-3-4-8(17-7)5-15-6-14-10(12)9(13)11(15)16/h3-4,6H,2,5,13H2,1H3
InChIKeyDFSGKCATJBACPB-UHFFFAOYSA-N
XLogP2.15
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.76
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-amino-6-chloro-3-[(5-ethylthiophen-2-yl)methyl]pyrimidin-4-one 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 5-amino-6-chloro-3-[(5-ethylthiophen-2-yl)methyl]pyrimidin-4-one?
The IUPAC name of 5-amino-6-chloro-3-[(5-ethylthiophen-2-yl)methyl]pyrimidin-4-one (CID 114582544) is 5-amino-6-chloro-3-[(5-ethylthiophen-2-yl)methyl]pyrimidin-4-one.
What is the SMILES notation for 5-amino-6-chloro-3-[(5-ethylthiophen-2-yl)methyl]pyrimidin-4-one?
The canonical SMILES for 5-amino-6-chloro-3-[(5-ethylthiophen-2-yl)methyl]pyrimidin-4-one is CCc1ccc(Cn2cnc(Cl)c(N)c2=O)s1.
What is the InChIKey of 5-amino-6-chloro-3-[(5-ethylthiophen-2-yl)methyl]pyrimidin-4-one?
The InChIKey is DFSGKCATJBACPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3OS/c1-2-7-3-4-8(17-7)5-15-6-14-10(12)9(13)11(15)16/h3-4,6H,2,5,13H2,1H3.
What are the key properties of 5-amino-6-chloro-3-[(5-ethylthiophen-2-yl)methyl]pyrimidin-4-one?
5-amino-6-chloro-3-[(5-ethylthiophen-2-yl)methyl]pyrimidin-4-one has a molecular weight of 269.76 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-chloro-3-[(5-ethylthiophen-2-yl)methyl]pyrimidin-4-one is sourced from PubChem (CID 114582544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).