6-chloro-2-methyl-3-(2-thiophen-3-ylethyl)pyrimidin-4-one

C11H11ClN2OS — CID 114581948

IUPAC6-chloro-2-methyl-3-(2-thiophen-3-ylethyl)pyrimidin-4-one
SMILESCc1nc(Cl)cc(=O)n1CCc1ccsc1
InChIInChI=1S/C11H11ClN2OS/c1-8-13-10(12)6-11(15)14(8)4-2-9-3-5-16-7-9/h3,5-7H,2,4H2,1H3
InChIKeyOTWGMGQDRPRAEV-UHFFFAOYSA-N
MW254.74 g/mol
LogP2.51
Rot. Bonds3

About 6-chloro-2-methyl-3-(2-thiophen-3-ylethyl)pyrimidin-4-one

6-chloro-2-methyl-3-(2-thiophen-3-ylethyl)pyrimidin-4-one (PubChem CID 114581948) has the molecular formula C11H11ClN2OS and a molecular weight of 254.74 g/mol. Its IUPAC name is 6-chloro-2-methyl-3-(2-thiophen-3-ylethyl)pyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-2-methyl-3-(2-thiophen-3-ylethyl)pyrimidin-4-one
PubChem CID114581948
Molecular FormulaC11H11ClN2OS
Molecular Weight254.74 g/mol
Exact Mass254.03
IUPAC Name6-chloro-2-methyl-3-(2-thiophen-3-ylethyl)pyrimidin-4-one
SMILESCc1nc(Cl)cc(=O)n1CCc1ccsc1
InChIInChI=1S/C11H11ClN2OS/c1-8-13-10(12)6-11(15)14(8)4-2-9-3-5-16-7-9/h3,5-7H,2,4H2,1H3
InChIKeyOTWGMGQDRPRAEV-UHFFFAOYSA-N
XLogP2.51
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.74
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methylpyrimidin-4-one
CID 114581740
6-chloro-3-[(4-iodophenyl)methyl]-2-methylpyrimidin-4-one
CID 114581841
6-chloro-3-(3-hydroxy-3-methylbutyl)-2-methylpyrimidin-4-one
CID 114581801
3-[(4-bromothiophen-2-yl)methyl]-6-chloro-2-methylpyrimidin-4-one
CID 114581805
6-chloro-2-methyl-3-(2-phenylsulfanylethyl)pyrimidin-4-one
CID 114581831
4-[2-methyl-3-(2-thiophen-3-ylethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
CID 135335931
6-chloro-3-(2-ethylbutyl)-2-methylpyrimidin-4-one
CID 114582003
6-chloro-3-(2-hydroxypropyl)-2-methylpyrimidin-4-one
CID 114581683
4-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-methylbutanamide
CID 114581852
6-chloro-2-methyl-3-[2-(3-methylbutoxy)ethyl]pyrimidin-4-one
CID 114581731
2-(chloromethyl)-1-(2-thiophen-3-ylethyl)benzimidazole
CID 61477875
3-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-2-methylpropanamide
CID 114581597

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methyl-3-(2-thiophen-3-ylethyl)pyrimidin-4-one?
The IUPAC name of 6-chloro-2-methyl-3-(2-thiophen-3-ylethyl)pyrimidin-4-one (CID 114581948) is 6-chloro-2-methyl-3-(2-thiophen-3-ylethyl)pyrimidin-4-one.
What is the SMILES notation for 6-chloro-2-methyl-3-(2-thiophen-3-ylethyl)pyrimidin-4-one?
The canonical SMILES for 6-chloro-2-methyl-3-(2-thiophen-3-ylethyl)pyrimidin-4-one is Cc1nc(Cl)cc(=O)n1CCc1ccsc1.
What is the InChIKey of 6-chloro-2-methyl-3-(2-thiophen-3-ylethyl)pyrimidin-4-one?
The InChIKey is OTWGMGQDRPRAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2OS/c1-8-13-10(12)6-11(15)14(8)4-2-9-3-5-16-7-9/h3,5-7H,2,4H2,1H3.
What are the key properties of 6-chloro-2-methyl-3-(2-thiophen-3-ylethyl)pyrimidin-4-one?
6-chloro-2-methyl-3-(2-thiophen-3-ylethyl)pyrimidin-4-one has a molecular weight of 254.74 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methyl-3-(2-thiophen-3-ylethyl)pyrimidin-4-one is sourced from PubChem (CID 114581948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).