6-chloro-3-[(5-chlorothiophen-2-yl)methyl]-5-methoxypyrimidin-4-one

C10H8Cl2N2O2S — CID 114585174

IUPAC6-chloro-3-[(5-chlorothiophen-2-yl)methyl]-5-methoxypyrimidin-4-one
SMILESCOc1c(Cl)ncn(Cc2ccc(Cl)s2)c1=O
InChIInChI=1S/C10H8Cl2N2O2S/c1-16-8-9(12)13-5-14(10(8)15)4-6-2-3-7(11)17-6/h2-3,5H,4H2,1H3
InChIKeyWIEBWOFGMGTHHT-UHFFFAOYSA-N
MW291.16 g/mol
LogP2.67
Rot. Bonds3

About 6-chloro-3-[(5-chlorothiophen-2-yl)methyl]-5-methoxypyrimidin-4-one

6-chloro-3-[(5-chlorothiophen-2-yl)methyl]-5-methoxypyrimidin-4-one (PubChem CID 114585174) has the molecular formula C10H8Cl2N2O2S and a molecular weight of 291.16 g/mol. Its IUPAC name is 6-chloro-3-[(5-chlorothiophen-2-yl)methyl]-5-methoxypyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-3-[(5-chlorothiophen-2-yl)methyl]-5-methoxypyrimidin-4-one
PubChem CID114585174
Molecular FormulaC10H8Cl2N2O2S
Molecular Weight291.16 g/mol
Exact Mass289.97
IUPAC Name6-chloro-3-[(5-chlorothiophen-2-yl)methyl]-5-methoxypyrimidin-4-one
SMILESCOc1c(Cl)ncn(Cc2ccc(Cl)s2)c1=O
InChIInChI=1S/C10H8Cl2N2O2S/c1-16-8-9(12)13-5-14(10(8)15)4-6-2-3-7(11)17-6/h2-3,5H,4H2,1H3
InChIKeyWIEBWOFGMGTHHT-UHFFFAOYSA-N
XLogP2.67
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.16
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[(5-chlorothiophen-2-yl)methyl]-5-methoxypyrimidin-4-one?
The IUPAC name of 6-chloro-3-[(5-chlorothiophen-2-yl)methyl]-5-methoxypyrimidin-4-one (CID 114585174) is 6-chloro-3-[(5-chlorothiophen-2-yl)methyl]-5-methoxypyrimidin-4-one.
What is the SMILES notation for 6-chloro-3-[(5-chlorothiophen-2-yl)methyl]-5-methoxypyrimidin-4-one?
The canonical SMILES for 6-chloro-3-[(5-chlorothiophen-2-yl)methyl]-5-methoxypyrimidin-4-one is COc1c(Cl)ncn(Cc2ccc(Cl)s2)c1=O.
What is the InChIKey of 6-chloro-3-[(5-chlorothiophen-2-yl)methyl]-5-methoxypyrimidin-4-one?
The InChIKey is WIEBWOFGMGTHHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N2O2S/c1-16-8-9(12)13-5-14(10(8)15)4-6-2-3-7(11)17-6/h2-3,5H,4H2,1H3.
What are the key properties of 6-chloro-3-[(5-chlorothiophen-2-yl)methyl]-5-methoxypyrimidin-4-one?
6-chloro-3-[(5-chlorothiophen-2-yl)methyl]-5-methoxypyrimidin-4-one has a molecular weight of 291.16 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[(5-chlorothiophen-2-yl)methyl]-5-methoxypyrimidin-4-one is sourced from PubChem (CID 114585174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).