1-[(5-chloro-2-methoxyphenyl)methyl]pyrimidin-2-one

C12H11ClN2O2 — CID 113226508

IUPAC1-[(5-chloro-2-methoxyphenyl)methyl]pyrimidin-2-one
SMILESCOc1ccc(Cl)cc1Cn1cccnc1=O
InChIInChI=1S/C12H11ClN2O2/c1-17-11-4-3-10(13)7-9(11)8-15-6-2-5-14-12(15)16/h2-7H,8H2,1H3
InChIKeyLKBPTOCDCSPMHE-UHFFFAOYSA-N
MW250.69 g/mol
LogP1.95
Rot. Bonds3

About 1-[(5-chloro-2-methoxyphenyl)methyl]pyrimidin-2-one

1-[(5-chloro-2-methoxyphenyl)methyl]pyrimidin-2-one (PubChem CID 113226508) has the molecular formula C12H11ClN2O2 and a molecular weight of 250.69 g/mol. Its IUPAC name is 1-[(5-chloro-2-methoxyphenyl)methyl]pyrimidin-2-one.

Molecular Properties

Compound Name1-[(5-chloro-2-methoxyphenyl)methyl]pyrimidin-2-one
PubChem CID113226508
Molecular FormulaC12H11ClN2O2
Molecular Weight250.69 g/mol
Exact Mass250.05
IUPAC Name1-[(5-chloro-2-methoxyphenyl)methyl]pyrimidin-2-one
SMILESCOc1ccc(Cl)cc1Cn1cccnc1=O
InChIInChI=1S/C12H11ClN2O2/c1-17-11-4-3-10(13)7-9(11)8-15-6-2-5-14-12(15)16/h2-7H,8H2,1H3
InChIKeyLKBPTOCDCSPMHE-UHFFFAOYSA-N
XLogP1.95
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.69
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-methoxy-N-[2-(2-oxopyrimidin-1-yl)ethyl]benzamide
CID 131703162
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CID 66406454
N-[[1-[(5-chloro-2-methoxyphenyl)methyl]pyrrol-2-yl]methyl]ethanamine
CID 66402723
1-[(5-chloro-2-methoxyphenyl)methyl]-4,5-dimethylimidazole
CID 115624836
N-[[1-[(5-chloro-2-methoxyphenyl)methyl]imidazol-2-yl]methyl]-2-methylpropan-2-amine
CID 62223776
2-methoxy-4-[(2-oxopyrimidin-1-yl)methyl]benzoic acid
CID 106793753
N-[[1-[(5-chloro-2-methoxyphenyl)methyl]imidazol-2-yl]methyl]cyclopropanamine
CID 62223052
4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-2-one
CID 8548890
1-[(5-chloro-2-methoxyphenyl)methyl]-2-methylpyrrole-3-carboxylic acid
CID 114189469
2-(5-chloro-2-methoxyphenyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
CID 17412421
1-[(5-chloro-2-methoxyphenyl)methyl]-6-ethyl-6-methylpiperazine-2,5-dione
CID 64880105
2-(5-chloro-2-methoxyphenyl)-N-methyl-1-pyrimidin-2-ylethanamine
CID 62600240

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-2-methoxyphenyl)methyl]pyrimidin-2-one?
The IUPAC name of 1-[(5-chloro-2-methoxyphenyl)methyl]pyrimidin-2-one (CID 113226508) is 1-[(5-chloro-2-methoxyphenyl)methyl]pyrimidin-2-one.
What is the SMILES notation for 1-[(5-chloro-2-methoxyphenyl)methyl]pyrimidin-2-one?
The canonical SMILES for 1-[(5-chloro-2-methoxyphenyl)methyl]pyrimidin-2-one is COc1ccc(Cl)cc1Cn1cccnc1=O.
What is the InChIKey of 1-[(5-chloro-2-methoxyphenyl)methyl]pyrimidin-2-one?
The InChIKey is LKBPTOCDCSPMHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2/c1-17-11-4-3-10(13)7-9(11)8-15-6-2-5-14-12(15)16/h2-7H,8H2,1H3.
What are the key properties of 1-[(5-chloro-2-methoxyphenyl)methyl]pyrimidin-2-one?
1-[(5-chloro-2-methoxyphenyl)methyl]pyrimidin-2-one has a molecular weight of 250.69 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-2-methoxyphenyl)methyl]pyrimidin-2-one is sourced from PubChem (CID 113226508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).