5-chloro-4-[(4-chlorophenyl)methoxy]-1H-pyrimidin-6-one

C11H8Cl2N2O2 — CID 114676469

IUPAC5-chloro-4-[(4-chlorophenyl)methoxy]-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(OCc2ccc(Cl)cc2)c1Cl
InChIInChI=1S/C11H8Cl2N2O2/c12-8-3-1-7(2-4-8)5-17-11-9(13)10(16)14-6-15-11/h1-4,6H,5H2,(H,14,15,16)
InChIKeyLRBKSASBOYFDQN-UHFFFAOYSA-N
MW271.10 g/mol
LogP2.66
Rot. Bonds3

About 5-chloro-4-[(4-chlorophenyl)methoxy]-1H-pyrimidin-6-one

5-chloro-4-[(4-chlorophenyl)methoxy]-1H-pyrimidin-6-one (PubChem CID 114676469) has the molecular formula C11H8Cl2N2O2 and a molecular weight of 271.10 g/mol. Its IUPAC name is 5-chloro-4-[(4-chlorophenyl)methoxy]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-[(4-chlorophenyl)methoxy]-1H-pyrimidin-6-one
PubChem CID114676469
Molecular FormulaC11H8Cl2N2O2
Molecular Weight271.10 g/mol
Exact Mass270.00
IUPAC Name5-chloro-4-[(4-chlorophenyl)methoxy]-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(OCc2ccc(Cl)cc2)c1Cl
InChIInChI=1S/C11H8Cl2N2O2/c12-8-3-1-7(2-4-8)5-17-11-9(13)10(16)14-6-15-11/h1-4,6H,5H2,(H,14,15,16)
InChIKeyLRBKSASBOYFDQN-UHFFFAOYSA-N
XLogP2.66
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.10
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-4-[(3-chlorophenyl)methoxy]-1H-pyrimidin-6-one
CID 114676466
2-chloro-6-[(4-chlorophenyl)methoxy]-7H-purine
CID 86188206
5-chloro-4-(4-chloro-2-methylphenoxy)-1H-pyrimidin-6-one
CID 114676044
4-[(E)-but-2-enoxy]-5-chloro-1H-pyrimidin-6-one
CID 114676381
4-[(4-chlorophenyl)methoxy]-1H-triazole-5-carboxylic acid
CID 139448954
5-chloro-4-(4-methylpentoxy)-1H-pyrimidin-6-one
CID 114676197
3-bromo-4-[(4-chlorophenyl)methoxy]-1H-pyridin-2-one
CID 121001106
4-[4-(aminomethyl)-2-methoxyphenoxy]-5-chloro-1H-pyrimidin-6-one
CID 114585927
4-(4-bromo-2-fluorophenoxy)-5-chloro-1H-pyrimidin-6-one
CID 114676189
4-chloro-6-[(4-chlorophenyl)methoxy]-5-methylpyrimidine
CID 65126013
4-[4-(aminomethyl)-2,6-dimethylphenoxy]-5-chloro-1H-pyrimidin-6-one
CID 114585959
5-chloro-4-(2-pyrrolidin-3-ylethoxy)-1H-pyrimidin-6-one
CID 114796574

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[(4-chlorophenyl)methoxy]-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-[(4-chlorophenyl)methoxy]-1H-pyrimidin-6-one (CID 114676469) is 5-chloro-4-[(4-chlorophenyl)methoxy]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-[(4-chlorophenyl)methoxy]-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-[(4-chlorophenyl)methoxy]-1H-pyrimidin-6-one is O=c1[nH]cnc(OCc2ccc(Cl)cc2)c1Cl.
What is the InChIKey of 5-chloro-4-[(4-chlorophenyl)methoxy]-1H-pyrimidin-6-one?
The InChIKey is LRBKSASBOYFDQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N2O2/c12-8-3-1-7(2-4-8)5-17-11-9(13)10(16)14-6-15-11/h1-4,6H,5H2,(H,14,15,16).
What are the key properties of 5-chloro-4-[(4-chlorophenyl)methoxy]-1H-pyrimidin-6-one?
5-chloro-4-[(4-chlorophenyl)methoxy]-1H-pyrimidin-6-one has a molecular weight of 271.10 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[(4-chlorophenyl)methoxy]-1H-pyrimidin-6-one is sourced from PubChem (CID 114676469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).