2-(4-chlorophenyl)-4-(methoxymethyl)-1H-pyrimidin-6-one

C12H11ClN2O2 — CID 135473144

IUPAC2-(4-chlorophenyl)-4-(methoxymethyl)-1H-pyrimidin-6-one
SMILESCOCc1cc(=O)[nH]c(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C12H11ClN2O2/c1-17-7-10-6-11(16)15-12(14-10)8-2-4-9(13)5-3-8/h2-6H,7H2,1H3,(H,14,15,16)
InChIKeyBVHDCXKFAXFARU-UHFFFAOYSA-N
MW250.69 g/mol
LogP2.24
Rot. Bonds3

About 2-(4-chlorophenyl)-4-(methoxymethyl)-1H-pyrimidin-6-one

2-(4-chlorophenyl)-4-(methoxymethyl)-1H-pyrimidin-6-one (PubChem CID 135473144) has the molecular formula C12H11ClN2O2 and a molecular weight of 250.69 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-(methoxymethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-(methoxymethyl)-1H-pyrimidin-6-one
PubChem CID135473144
Molecular FormulaC12H11ClN2O2
Molecular Weight250.69 g/mol
Exact Mass250.05
IUPAC Name2-(4-chlorophenyl)-4-(methoxymethyl)-1H-pyrimidin-6-one
SMILESCOCc1cc(=O)[nH]c(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C12H11ClN2O2/c1-17-7-10-6-11(16)15-12(14-10)8-2-4-9(13)5-3-8/h2-6H,7H2,1H3,(H,14,15,16)
InChIKeyBVHDCXKFAXFARU-UHFFFAOYSA-N
XLogP2.24
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.69
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-(methoxymethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(4-chlorophenyl)-4-(methoxymethyl)-1H-pyrimidin-6-one (CID 135473144) is 2-(4-chlorophenyl)-4-(methoxymethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(4-chlorophenyl)-4-(methoxymethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(4-chlorophenyl)-4-(methoxymethyl)-1H-pyrimidin-6-one is COCc1cc(=O)[nH]c(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 2-(4-chlorophenyl)-4-(methoxymethyl)-1H-pyrimidin-6-one?
The InChIKey is BVHDCXKFAXFARU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2/c1-17-7-10-6-11(16)15-12(14-10)8-2-4-9(13)5-3-8/h2-6H,7H2,1H3,(H,14,15,16).
What are the key properties of 2-(4-chlorophenyl)-4-(methoxymethyl)-1H-pyrimidin-6-one?
2-(4-chlorophenyl)-4-(methoxymethyl)-1H-pyrimidin-6-one has a molecular weight of 250.69 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-(methoxymethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135473144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).