1-(cyclopentylmethyl)-6-hydroxy-5-phenylpyrimidine-2,4-dione

C16H18N2O3 — CID 115946756

IUPAC1-(cyclopentylmethyl)-6-hydroxy-5-phenylpyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(CC2CCCC2)c(O)c1-c1ccccc1
InChIInChI=1S/C16H18N2O3/c19-14-13(12-8-2-1-3-9-12)15(20)18(16(21)17-14)10-11-6-4-5-7-11/h1-3,8-9,11,20H,4-7,10H2,(H,17,19,21)
InChIKeyFJHVAIIFQVMHJR-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.10
Rot. Bonds3

About 1-(cyclopentylmethyl)-6-hydroxy-5-phenylpyrimidine-2,4-dione

1-(cyclopentylmethyl)-6-hydroxy-5-phenylpyrimidine-2,4-dione (PubChem CID 115946756) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 1-(cyclopentylmethyl)-6-hydroxy-5-phenylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(cyclopentylmethyl)-6-hydroxy-5-phenylpyrimidine-2,4-dione
PubChem CID115946756
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name1-(cyclopentylmethyl)-6-hydroxy-5-phenylpyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(CC2CCCC2)c(O)c1-c1ccccc1
InChIInChI=1S/C16H18N2O3/c19-14-13(12-8-2-1-3-9-12)15(20)18(16(21)17-14)10-11-6-4-5-7-11/h1-3,8-9,11,20H,4-7,10H2,(H,17,19,21)
InChIKeyFJHVAIIFQVMHJR-UHFFFAOYSA-N
XLogP2.10
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-hydroxy-1-(oxolan-3-ylmethyl)-5-phenylpyrimidine-2,4-dione
CID 115947976
5-(4-chlorophenyl)-1-(cyclopropylmethyl)-6-hydroxypyrimidine-2,4-dione
CID 115946019
1-(cyclopentylmethyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 112599268
6-hydroxy-5-phenyl-1-(3,3,3-trifluoropropyl)pyrimidine-2,4-dione
CID 115948074
6-hydroxy-5-phenyl-1-(1,3-thiazol-2-ylmethyl)pyrimidine-2,4-dione
CID 115947290
6-hydroxy-1-(4-methylpentyl)-5-phenylpyrimidine-2,4-dione
CID 115948124
6-hydroxy-5-phenyl-1-(2-propan-2-yloxyethyl)pyrimidine-2,4-dione
CID 104767898
6-hydroxy-1-(2-methyl-3-methylsulfanylpropyl)-5-phenylpyrimidine-2,4-dione
CID 115948240
1-(2,2-dimethylcyclopropyl)-6-hydroxy-5-phenylpyrimidine-2,4-dione
CID 115947359
6-hydroxy-1-(1-methylcyclopentyl)-5-phenylpyrimidine-2,4-dione
CID 115948498
6-benzyl-4-hydroxy-3-phenyl-1H-pyridin-2-one;6-(cyclohexylmethyl)-4-hydroxy-3-phenyl-1H-pyridin-2-one;6-(cyclopentylmethyl)-4-hydroxy-3-phenyl-1H-pyridin-2-one;6-(cyclopropylmethyl)-4-hydroxy-3-phenyl-1H-pyridin-2-one
CID 159606681
6-hydroxy-1-(3-methylbutan-2-yl)-5-phenylpyrimidine-2,4-dione
CID 115945962

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentylmethyl)-6-hydroxy-5-phenylpyrimidine-2,4-dione?
The IUPAC name of 1-(cyclopentylmethyl)-6-hydroxy-5-phenylpyrimidine-2,4-dione (CID 115946756) is 1-(cyclopentylmethyl)-6-hydroxy-5-phenylpyrimidine-2,4-dione.
What is the SMILES notation for 1-(cyclopentylmethyl)-6-hydroxy-5-phenylpyrimidine-2,4-dione?
The canonical SMILES for 1-(cyclopentylmethyl)-6-hydroxy-5-phenylpyrimidine-2,4-dione is O=c1[nH]c(=O)n(CC2CCCC2)c(O)c1-c1ccccc1.
What is the InChIKey of 1-(cyclopentylmethyl)-6-hydroxy-5-phenylpyrimidine-2,4-dione?
The InChIKey is FJHVAIIFQVMHJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c19-14-13(12-8-2-1-3-9-12)15(20)18(16(21)17-14)10-11-6-4-5-7-11/h1-3,8-9,11,20H,4-7,10H2,(H,17,19,21).
What are the key properties of 1-(cyclopentylmethyl)-6-hydroxy-5-phenylpyrimidine-2,4-dione?
1-(cyclopentylmethyl)-6-hydroxy-5-phenylpyrimidine-2,4-dione has a molecular weight of 286.33 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylmethyl)-6-hydroxy-5-phenylpyrimidine-2,4-dione is sourced from PubChem (CID 115946756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).