6-chloro-5-[(3-methoxyphenyl)methyl]-1H-pyrimidine-2,4-dione

C12H11ClN2O3 — CID 67492155

IUPAC6-chloro-5-[(3-methoxyphenyl)methyl]-1H-pyrimidine-2,4-dione
SMILESCOc1cccc(Cc2c(Cl)[nH]c(=O)[nH]c2=O)c1
InChIInChI=1S/C12H11ClN2O3/c1-18-8-4-2-3-7(5-8)6-9-10(13)14-12(17)15-11(9)16/h2-5H,6H2,1H3,(H2,14,15,16,17)
InChIKeyWWABQJQYDHIBIN-UHFFFAOYSA-N
MW266.68 g/mol
LogP1.32
Rot. Bonds3

About 6-chloro-5-[(3-methoxyphenyl)methyl]-1H-pyrimidine-2,4-dione

6-chloro-5-[(3-methoxyphenyl)methyl]-1H-pyrimidine-2,4-dione (PubChem CID 67492155) has the molecular formula C12H11ClN2O3 and a molecular weight of 266.68 g/mol. Its IUPAC name is 6-chloro-5-[(3-methoxyphenyl)methyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-chloro-5-[(3-methoxyphenyl)methyl]-1H-pyrimidine-2,4-dione
PubChem CID67492155
Molecular FormulaC12H11ClN2O3
Molecular Weight266.68 g/mol
Exact Mass266.05
IUPAC Name6-chloro-5-[(3-methoxyphenyl)methyl]-1H-pyrimidine-2,4-dione
SMILESCOc1cccc(Cc2c(Cl)[nH]c(=O)[nH]c2=O)c1
InChIInChI=1S/C12H11ClN2O3/c1-18-8-4-2-3-7(5-8)6-9-10(13)14-12(17)15-11(9)16/h2-5H,6H2,1H3,(H2,14,15,16,17)
InChIKeyWWABQJQYDHIBIN-UHFFFAOYSA-N
XLogP1.32
TPSA74.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.68
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(hydroxymethyl)-2-[(3-methoxyphenyl)methyl]-1H-pyrimidin-6-one
CID 114204923
4-hydroxy-6-[(3-methoxyphenyl)methyl]-1H-pyridin-2-one
CID 118471216
3-[(3-methoxyphenyl)methyl]-1H-pyridazin-6-one
CID 11769880
5-chloro-1-[(3-methoxyphenyl)methyl]pyrimidine-2,4-dione
CID 66425761
4-chloro-5-[(3-methoxyphenyl)methyl]-6-methylpyrimidine
CID 87167555
5-[(3-fluorophenyl)methyl]-6-methyl-1H-pyrimidine-2,4-dione
CID 83952471
4-cyclopropyl-2-[(3-methoxyphenyl)methyl]-1H-pyrimidin-6-one
CID 135975552
2-[(3-methoxyphenyl)methyl]-1H-pyrrole
CID 12872045
2-amino-7-[(3-methoxyphenyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;dihydrate
CID 161383706
3-[(3-methoxyphenyl)methyl]-5-methyl-1H-pyrazole
CID 82076606
5-[(4-fluorophenyl)methyl]-6-hydroxy-1-(3-methoxyphenyl)pyrimidine-2,4-dione
CID 4907666
4-chloro-5-[(3-methoxyphenyl)methyl]-6-(trifluoromethyl)pyrimidine
CID 132590511

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-[(3-methoxyphenyl)methyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-chloro-5-[(3-methoxyphenyl)methyl]-1H-pyrimidine-2,4-dione (CID 67492155) is 6-chloro-5-[(3-methoxyphenyl)methyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-chloro-5-[(3-methoxyphenyl)methyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-chloro-5-[(3-methoxyphenyl)methyl]-1H-pyrimidine-2,4-dione is COc1cccc(Cc2c(Cl)[nH]c(=O)[nH]c2=O)c1.
What is the InChIKey of 6-chloro-5-[(3-methoxyphenyl)methyl]-1H-pyrimidine-2,4-dione?
The InChIKey is WWABQJQYDHIBIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O3/c1-18-8-4-2-3-7(5-8)6-9-10(13)14-12(17)15-11(9)16/h2-5H,6H2,1H3,(H2,14,15,16,17).
What are the key properties of 6-chloro-5-[(3-methoxyphenyl)methyl]-1H-pyrimidine-2,4-dione?
6-chloro-5-[(3-methoxyphenyl)methyl]-1H-pyrimidine-2,4-dione has a molecular weight of 266.68 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-[(3-methoxyphenyl)methyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 67492155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).