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

C11H9ClN2O3 — CID 91380281

IUPAC5-[(3-chlorophenyl)methyl]-6-hydroxy-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]c(O)c(Cc2cccc(Cl)c2)c(=O)[nH]1
InChIInChI=1S/C11H9ClN2O3/c12-7-3-1-2-6(4-7)5-8-9(15)13-11(17)14-10(8)16/h1-4H,5H2,(H3,13,14,15,16,17)
InChIKeyGTXFODAVVUUBKB-UHFFFAOYSA-N
MW252.66 g/mol
LogP1.01
Rot. Bonds2

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

5-[(3-chlorophenyl)methyl]-6-hydroxy-1H-pyrimidine-2,4-dione (PubChem CID 91380281) has the molecular formula C11H9ClN2O3 and a molecular weight of 252.66 g/mol. Its IUPAC name is 5-[(3-chlorophenyl)methyl]-6-hydroxy-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(3-chlorophenyl)methyl]-6-hydroxy-1H-pyrimidine-2,4-dione
PubChem CID91380281
Molecular FormulaC11H9ClN2O3
Molecular Weight252.66 g/mol
Exact Mass252.03
IUPAC Name5-[(3-chlorophenyl)methyl]-6-hydroxy-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]c(O)c(Cc2cccc(Cl)c2)c(=O)[nH]1
InChIInChI=1S/C11H9ClN2O3/c12-7-3-1-2-6(4-7)5-8-9(15)13-11(17)14-10(8)16/h1-4H,5H2,(H3,13,14,15,16,17)
InChIKeyGTXFODAVVUUBKB-UHFFFAOYSA-N
XLogP1.01
TPSA85.95 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.66
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(3-chlorophenyl)methyl]-6-methyl-2-sulfanylidene-1H-pyrimidin-4-one
CID 66490650
2-[(3-chlorophenyl)methyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
CID 63611264
6-hydroxy-5-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-1H-pyrimidine-2,4-dione
CID 91276265
2-[(3-chlorophenyl)methyl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 63613611
2-[5-[(3-chlorophenyl)methyl]-6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]acetamide
CID 137078822
5-[(3-fluorophenyl)methyl]-6-methyl-1H-pyrimidine-2,4-dione
CID 83952471
5-benzyl-6-[4-(3-chlorophenyl)cyclohex-3-en-1-yl]-1H-pyrimidine-2,4-dione
CID 153372852
6-[(3-chlorophenyl)methyl]-2-sulfanylidene-1H-pyrimidin-4-one
CID 10610856
2-[(3-chlorophenyl)methyl]thiophene-3-carboxylic acid
CID 71775413
6-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-dione
CID 83950321
5-bromo-6-[(3-chlorophenyl)methylamino]-1,3-dihydrobenzimidazol-2-one
CID 43230508
5-[(3-chlorophenyl)methyl]-3-[2-(4-hydroxy-3,5-dimethylphenyl)ethyl]-1H-pyrazole-4-carboxamide
CID 160822484

Frequently Asked Questions

What is the IUPAC name of 5-[(3-chlorophenyl)methyl]-6-hydroxy-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[(3-chlorophenyl)methyl]-6-hydroxy-1H-pyrimidine-2,4-dione (CID 91380281) is 5-[(3-chlorophenyl)methyl]-6-hydroxy-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[(3-chlorophenyl)methyl]-6-hydroxy-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[(3-chlorophenyl)methyl]-6-hydroxy-1H-pyrimidine-2,4-dione is O=c1[nH]c(O)c(Cc2cccc(Cl)c2)c(=O)[nH]1.
What is the InChIKey of 5-[(3-chlorophenyl)methyl]-6-hydroxy-1H-pyrimidine-2,4-dione?
The InChIKey is GTXFODAVVUUBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O3/c12-7-3-1-2-6(4-7)5-8-9(15)13-11(17)14-10(8)16/h1-4H,5H2,(H3,13,14,15,16,17).
What are the key properties of 5-[(3-chlorophenyl)methyl]-6-hydroxy-1H-pyrimidine-2,4-dione?
5-[(3-chlorophenyl)methyl]-6-hydroxy-1H-pyrimidine-2,4-dione has a molecular weight of 252.66 g/mol, XLogP of 1.01, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chlorophenyl)methyl]-6-hydroxy-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 91380281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).