5-chloro-1-[[4-(hydroxymethyl)phenyl]methyl]pyrimidin-2-one

C12H11ClN2O2 — CID 113365908

IUPAC5-chloro-1-[[4-(hydroxymethyl)phenyl]methyl]pyrimidin-2-one
SMILESO=c1ncc(Cl)cn1Cc1ccc(CO)cc1
InChIInChI=1S/C12H11ClN2O2/c13-11-5-14-12(17)15(7-11)6-9-1-3-10(8-16)4-2-9/h1-5,7,16H,6,8H2
InChIKeyQQHRLKSTBIXKDB-UHFFFAOYSA-N
MW250.69 g/mol
LogP1.44
Rot. Bonds3

About 5-chloro-1-[[4-(hydroxymethyl)phenyl]methyl]pyrimidin-2-one

5-chloro-1-[[4-(hydroxymethyl)phenyl]methyl]pyrimidin-2-one (PubChem CID 113365908) has the molecular formula C12H11ClN2O2 and a molecular weight of 250.69 g/mol. Its IUPAC name is 5-chloro-1-[[4-(hydroxymethyl)phenyl]methyl]pyrimidin-2-one.

Molecular Properties

Compound Name5-chloro-1-[[4-(hydroxymethyl)phenyl]methyl]pyrimidin-2-one
PubChem CID113365908
Molecular FormulaC12H11ClN2O2
Molecular Weight250.69 g/mol
Exact Mass250.05
IUPAC Name5-chloro-1-[[4-(hydroxymethyl)phenyl]methyl]pyrimidin-2-one
SMILESO=c1ncc(Cl)cn1Cc1ccc(CO)cc1
InChIInChI=1S/C12H11ClN2O2/c13-11-5-14-12(17)15(7-11)6-9-1-3-10(8-16)4-2-9/h1-5,7,16H,6,8H2
InChIKeyQQHRLKSTBIXKDB-UHFFFAOYSA-N
XLogP1.44
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.69
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-1-[(5-chloro-2-oxopyrimidin-1-yl)methyl]pyrimidin-2-one
CID 15650507
4-[(5-chloro-2-oxopyrimidin-1-yl)methoxymethyl]benzoic acid
CID 15042726
5-chloro-1-[(4-methylphenyl)methoxymethyl]pyrimidin-2-one
CID 15650491
4-[(5-chloro-2-oxopyrimidin-1-yl)methyl]pyrimidine-5-carboxylic acid
CID 102974030
[6-(4-chloropyrazol-1-yl)-3-pyridinyl]methanol
CID 61255001
1-[(4-iodophenyl)methyl]-5-methylpyrimidin-2-one
CID 65489922
1-benzyl-5-phenylpyrimidin-2-one
CID 14318835
5-chloro-1-[2-(furan-3-yl)-2-oxoethyl]pyrimidin-2-one
CID 12791244
4-[(5-nitro-2-oxopyrimidin-1-yl)methyl]benzoic acid
CID 104697095
1-[(2-chloro-4-pyridinyl)methyl]-5-methylpyrimidin-2-one
CID 63205795
1-[[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]methyl]-5-methylpyrimidin-2-one
CID 63206047
[4-(4-chloropyrazol-1-yl)-3-fluorophenyl]methanol
CID 61035650

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[[4-(hydroxymethyl)phenyl]methyl]pyrimidin-2-one?
The IUPAC name of 5-chloro-1-[[4-(hydroxymethyl)phenyl]methyl]pyrimidin-2-one (CID 113365908) is 5-chloro-1-[[4-(hydroxymethyl)phenyl]methyl]pyrimidin-2-one.
What is the SMILES notation for 5-chloro-1-[[4-(hydroxymethyl)phenyl]methyl]pyrimidin-2-one?
The canonical SMILES for 5-chloro-1-[[4-(hydroxymethyl)phenyl]methyl]pyrimidin-2-one is O=c1ncc(Cl)cn1Cc1ccc(CO)cc1.
What is the InChIKey of 5-chloro-1-[[4-(hydroxymethyl)phenyl]methyl]pyrimidin-2-one?
The InChIKey is QQHRLKSTBIXKDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2/c13-11-5-14-12(17)15(7-11)6-9-1-3-10(8-16)4-2-9/h1-5,7,16H,6,8H2.
What are the key properties of 5-chloro-1-[[4-(hydroxymethyl)phenyl]methyl]pyrimidin-2-one?
5-chloro-1-[[4-(hydroxymethyl)phenyl]methyl]pyrimidin-2-one has a molecular weight of 250.69 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[[4-(hydroxymethyl)phenyl]methyl]pyrimidin-2-one is sourced from PubChem (CID 113365908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).