3-[(4-bromothiophen-2-yl)methyl]-6-chloro-2-methylpyrimidin-4-one

C10H8BrClN2OS — CID 114581805

IUPAC3-[(4-bromothiophen-2-yl)methyl]-6-chloro-2-methylpyrimidin-4-one
SMILESCc1nc(Cl)cc(=O)n1Cc1cc(Br)cs1
InChIInChI=1S/C10H8BrClN2OS/c1-6-13-9(12)3-10(15)14(6)4-8-2-7(11)5-16-8/h2-3,5H,4H2,1H3
InChIKeyGZTDMJTUPHYPAB-UHFFFAOYSA-N
MW319.61 g/mol
LogP3.08
Rot. Bonds2

About 3-[(4-bromothiophen-2-yl)methyl]-6-chloro-2-methylpyrimidin-4-one

3-[(4-bromothiophen-2-yl)methyl]-6-chloro-2-methylpyrimidin-4-one (PubChem CID 114581805) has the molecular formula C10H8BrClN2OS and a molecular weight of 319.61 g/mol. Its IUPAC name is 3-[(4-bromothiophen-2-yl)methyl]-6-chloro-2-methylpyrimidin-4-one.

Molecular Properties

Compound Name3-[(4-bromothiophen-2-yl)methyl]-6-chloro-2-methylpyrimidin-4-one
PubChem CID114581805
Molecular FormulaC10H8BrClN2OS
Molecular Weight319.61 g/mol
Exact Mass317.92
IUPAC Name3-[(4-bromothiophen-2-yl)methyl]-6-chloro-2-methylpyrimidin-4-one
SMILESCc1nc(Cl)cc(=O)n1Cc1cc(Br)cs1
InChIInChI=1S/C10H8BrClN2OS/c1-6-13-9(12)3-10(15)14(6)4-8-2-7(11)5-16-8/h2-3,5H,4H2,1H3
InChIKeyGZTDMJTUPHYPAB-UHFFFAOYSA-N
XLogP3.08
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.61
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[(4-bromothiophen-2-yl)methyl]-6-chloro-2-methylpyrimidin-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

Related Compounds

3-[(4-bromothiophen-2-yl)methyl]-2,6-dimethylpyrimidin-4-one
CID 55236457
6-chloro-3-[(4-iodophenyl)methyl]-2-methylpyrimidin-4-one
CID 114581841
6-chloro-3-(2-ethylbutyl)-2-methylpyrimidin-4-one
CID 114582003
3-[(2-bromo-5-methoxyphenyl)methyl]-6-chloro-2-methylpyrimidin-4-one
CID 114581792
3-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-6-chloro-2-methylpyrimidin-4-one
CID 114581952
6-chloro-3-(ethoxymethyl)-2-methylpyrimidin-4-one
CID 114581850
3-butyl-6-chloro-2-methylpyrimidin-4-one
CID 114581815
6-chloro-3-[(4-chloro-2-fluorophenyl)methyl]-2-methylpyrimidin-4-one
CID 114857657
1-[(4-bromothiophen-2-yl)methyl]-3-methylquinoxalin-2-one
CID 62375019
6-chloro-3-(2-hydroxypropyl)-2-methylpyrimidin-4-one
CID 114581683
4-[(4-chloro-2-methyl-6-oxopyrimidin-1-yl)methyl]benzamide
CID 114581834
6-chloro-3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylpyrimidin-4-one
CID 114581943

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromothiophen-2-yl)methyl]-6-chloro-2-methylpyrimidin-4-one?
The IUPAC name of 3-[(4-bromothiophen-2-yl)methyl]-6-chloro-2-methylpyrimidin-4-one (CID 114581805) is 3-[(4-bromothiophen-2-yl)methyl]-6-chloro-2-methylpyrimidin-4-one.
What is the SMILES notation for 3-[(4-bromothiophen-2-yl)methyl]-6-chloro-2-methylpyrimidin-4-one?
The canonical SMILES for 3-[(4-bromothiophen-2-yl)methyl]-6-chloro-2-methylpyrimidin-4-one is Cc1nc(Cl)cc(=O)n1Cc1cc(Br)cs1.
What is the InChIKey of 3-[(4-bromothiophen-2-yl)methyl]-6-chloro-2-methylpyrimidin-4-one?
The InChIKey is GZTDMJTUPHYPAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClN2OS/c1-6-13-9(12)3-10(15)14(6)4-8-2-7(11)5-16-8/h2-3,5H,4H2,1H3.
What are the key properties of 3-[(4-bromothiophen-2-yl)methyl]-6-chloro-2-methylpyrimidin-4-one?
3-[(4-bromothiophen-2-yl)methyl]-6-chloro-2-methylpyrimidin-4-one has a molecular weight of 319.61 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromothiophen-2-yl)methyl]-6-chloro-2-methylpyrimidin-4-one is sourced from PubChem (CID 114581805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).