6-chloro-3-[(4-chlorophenyl)methyl]-5-methoxypyrimidin-4-one

C12H10Cl2N2O2 — CID 114585475

IUPAC6-chloro-3-[(4-chlorophenyl)methyl]-5-methoxypyrimidin-4-one
SMILESCOc1c(Cl)ncn(Cc2ccc(Cl)cc2)c1=O
InChIInChI=1S/C12H10Cl2N2O2/c1-18-10-11(14)15-7-16(12(10)17)6-8-2-4-9(13)5-3-8/h2-5,7H,6H2,1H3
InChIKeyNBSRXLOISRKNTL-UHFFFAOYSA-N
MW285.13 g/mol
LogP2.61
Rot. Bonds3

About 6-chloro-3-[(4-chlorophenyl)methyl]-5-methoxypyrimidin-4-one

6-chloro-3-[(4-chlorophenyl)methyl]-5-methoxypyrimidin-4-one (PubChem CID 114585475) has the molecular formula C12H10Cl2N2O2 and a molecular weight of 285.13 g/mol. Its IUPAC name is 6-chloro-3-[(4-chlorophenyl)methyl]-5-methoxypyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-3-[(4-chlorophenyl)methyl]-5-methoxypyrimidin-4-one
PubChem CID114585475
Molecular FormulaC12H10Cl2N2O2
Molecular Weight285.13 g/mol
Exact Mass284.01
IUPAC Name6-chloro-3-[(4-chlorophenyl)methyl]-5-methoxypyrimidin-4-one
SMILESCOc1c(Cl)ncn(Cc2ccc(Cl)cc2)c1=O
InChIInChI=1S/C12H10Cl2N2O2/c1-18-10-11(14)15-7-16(12(10)17)6-8-2-4-9(13)5-3-8/h2-5,7H,6H2,1H3
InChIKeyNBSRXLOISRKNTL-UHFFFAOYSA-N
XLogP2.61
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.13
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-3-(2,3-dihydro-1H-inden-5-ylmethyl)-5-methoxypyrimidin-4-one
CID 114585203
6-chloro-3-[(2-fluorophenyl)methyl]-5-methoxypyrimidin-4-one
CID 114585464
6-chloro-5-methoxy-3-[(2-methyltetrazol-5-yl)methyl]pyrimidin-4-one
CID 107052078
6-chloro-3-[2-(dimethylamino)ethyl]-5-methoxypyrimidin-4-one
CID 114585412
3-butyl-6-chloro-5-methoxypyrimidin-4-one
CID 114585317
6-chloro-5-methoxy-3-prop-2-enylpyrimidin-4-one
CID 114585117
6-chloro-3-[(1-ethylimidazol-2-yl)methyl]-5-methoxypyrimidin-4-one
CID 114585107
6-chloro-5-methoxy-3-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrimidin-4-one
CID 114585455
6-chloro-5-methoxy-3-[2-(4-nitrophenyl)ethyl]pyrimidin-4-one
CID 114585486
2-[(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)methyl]benzamide
CID 114585427
6-chloro-3-[(3-fluoro-4-methoxyphenyl)methyl]-5-iodopyrimidin-4-one
CID 114584029
6-chloro-3-hexyl-5-methoxypyrimidin-4-one
CID 114585335

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[(4-chlorophenyl)methyl]-5-methoxypyrimidin-4-one?
The IUPAC name of 6-chloro-3-[(4-chlorophenyl)methyl]-5-methoxypyrimidin-4-one (CID 114585475) is 6-chloro-3-[(4-chlorophenyl)methyl]-5-methoxypyrimidin-4-one.
What is the SMILES notation for 6-chloro-3-[(4-chlorophenyl)methyl]-5-methoxypyrimidin-4-one?
The canonical SMILES for 6-chloro-3-[(4-chlorophenyl)methyl]-5-methoxypyrimidin-4-one is COc1c(Cl)ncn(Cc2ccc(Cl)cc2)c1=O.
What is the InChIKey of 6-chloro-3-[(4-chlorophenyl)methyl]-5-methoxypyrimidin-4-one?
The InChIKey is NBSRXLOISRKNTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2O2/c1-18-10-11(14)15-7-16(12(10)17)6-8-2-4-9(13)5-3-8/h2-5,7H,6H2,1H3.
What are the key properties of 6-chloro-3-[(4-chlorophenyl)methyl]-5-methoxypyrimidin-4-one?
6-chloro-3-[(4-chlorophenyl)methyl]-5-methoxypyrimidin-4-one has a molecular weight of 285.13 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[(4-chlorophenyl)methyl]-5-methoxypyrimidin-4-one is sourced from PubChem (CID 114585475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).