5,6-dichloro-3-(2-thiophen-2-ylethyl)pyrimidin-4-one

C10H8Cl2N2OS — CID 114583003

IUPAC5,6-dichloro-3-(2-thiophen-2-ylethyl)pyrimidin-4-one
SMILESO=c1c(Cl)c(Cl)ncn1CCc1cccs1
InChIInChI=1S/C10H8Cl2N2OS/c11-8-9(12)13-6-14(10(8)15)4-3-7-2-1-5-16-7/h1-2,5-6H,3-4H2
InChIKeyVPVWSTUHTDFLQO-UHFFFAOYSA-N
MW275.16 g/mol
LogP2.85
Rot. Bonds3

About 5,6-dichloro-3-(2-thiophen-2-ylethyl)pyrimidin-4-one

5,6-dichloro-3-(2-thiophen-2-ylethyl)pyrimidin-4-one (PubChem CID 114583003) has the molecular formula C10H8Cl2N2OS and a molecular weight of 275.16 g/mol. Its IUPAC name is 5,6-dichloro-3-(2-thiophen-2-ylethyl)pyrimidin-4-one.

Molecular Properties

Compound Name5,6-dichloro-3-(2-thiophen-2-ylethyl)pyrimidin-4-one
PubChem CID114583003
Molecular FormulaC10H8Cl2N2OS
Molecular Weight275.16 g/mol
Exact Mass273.97
IUPAC Name5,6-dichloro-3-(2-thiophen-2-ylethyl)pyrimidin-4-one
SMILESO=c1c(Cl)c(Cl)ncn1CCc1cccs1
InChIInChI=1S/C10H8Cl2N2OS/c11-8-9(12)13-6-14(10(8)15)4-3-7-2-1-5-16-7/h1-2,5-6H,3-4H2
InChIKeyVPVWSTUHTDFLQO-UHFFFAOYSA-N
XLogP2.85
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.16
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-3-(2-thiophen-2-ylethyl)pyrimidin-4-one
CID 114582136
5,6-difluoro-1-(2-thiophen-2-ylethyl)benzimidazole
CID 113357701
2-[1-(2-thiophen-2-ylethyl)imidazol-2-yl]ethanamine
CID 63773737
1-ethyl-3-(2-thiophen-2-ylethyl)imidazol-2-one
CID 116624291
2-methylsulfonyl-1-(2-thiophen-2-ylethyl)imidazole
CID 82132226
4-methyl-2-(2-thiophen-2-ylethyl)-1,2,4-triazol-3-one
CID 86797131
3-(4,5-dichloro-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide
CID 114583185
4-(chloromethyl)-1-(2-thiophen-2-ylethyl)imidazole
CID 106720766
1-(2-thiophen-2-ylethyl)imidazole-4-carbaldehyde
CID 106716533
5-bromo-1-(2-thiophen-2-ylethyl)pyridin-2-one
CID 66308274
2-methyl-N-[[3-(2-thiophen-2-ylethyl)imidazol-4-yl]methyl]propan-2-amine
CID 66147964
2-[1-(2-thiophen-2-ylethyl)imidazol-2-yl]sulfanylethanol
CID 94691207

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-3-(2-thiophen-2-ylethyl)pyrimidin-4-one?
The IUPAC name of 5,6-dichloro-3-(2-thiophen-2-ylethyl)pyrimidin-4-one (CID 114583003) is 5,6-dichloro-3-(2-thiophen-2-ylethyl)pyrimidin-4-one.
What is the SMILES notation for 5,6-dichloro-3-(2-thiophen-2-ylethyl)pyrimidin-4-one?
The canonical SMILES for 5,6-dichloro-3-(2-thiophen-2-ylethyl)pyrimidin-4-one is O=c1c(Cl)c(Cl)ncn1CCc1cccs1.
What is the InChIKey of 5,6-dichloro-3-(2-thiophen-2-ylethyl)pyrimidin-4-one?
The InChIKey is VPVWSTUHTDFLQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N2OS/c11-8-9(12)13-6-14(10(8)15)4-3-7-2-1-5-16-7/h1-2,5-6H,3-4H2.
What are the key properties of 5,6-dichloro-3-(2-thiophen-2-ylethyl)pyrimidin-4-one?
5,6-dichloro-3-(2-thiophen-2-ylethyl)pyrimidin-4-one has a molecular weight of 275.16 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-3-(2-thiophen-2-ylethyl)pyrimidin-4-one is sourced from PubChem (CID 114583003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).