6-oxo-2-(2-phenylcyclopentyl)-5-phenylmethoxy-1H-pyrimidine-4-carboxylic acid

C23H22N2O4 — CID 137053482

IUPAC6-oxo-2-(2-phenylcyclopentyl)-5-phenylmethoxy-1H-pyrimidine-4-carboxylic acid
SMILESO=C(O)c1nc(C2CCCC2c2ccccc2)[nH]c(=O)c1OCc1ccccc1
InChIInChI=1S/C23H22N2O4/c26-22-20(29-14-15-8-3-1-4-9-15)19(23(27)28)24-21(25-22)18-13-7-12-17(18)16-10-5-2-6-11-16/h1-6,8-11,17-18H,7,12-14H2,(H,27,28)(H,24,25,26)
InChIKeyUACGVZNRMNHKEC-UHFFFAOYSA-N
MW390.44 g/mol
LogP4.10
Rot. Bonds6

About 6-oxo-2-(2-phenylcyclopentyl)-5-phenylmethoxy-1H-pyrimidine-4-carboxylic acid

6-oxo-2-(2-phenylcyclopentyl)-5-phenylmethoxy-1H-pyrimidine-4-carboxylic acid (PubChem CID 137053482) has the molecular formula C23H22N2O4 and a molecular weight of 390.44 g/mol. Its IUPAC name is 6-oxo-2-(2-phenylcyclopentyl)-5-phenylmethoxy-1H-pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-oxo-2-(2-phenylcyclopentyl)-5-phenylmethoxy-1H-pyrimidine-4-carboxylic acid
PubChem CID137053482
Molecular FormulaC23H22N2O4
Molecular Weight390.44 g/mol
Exact Mass390.16
IUPAC Name6-oxo-2-(2-phenylcyclopentyl)-5-phenylmethoxy-1H-pyrimidine-4-carboxylic acid
SMILESO=C(O)c1nc(C2CCCC2c2ccccc2)[nH]c(=O)c1OCc1ccccc1
InChIInChI=1S/C23H22N2O4/c26-22-20(29-14-15-8-3-1-4-9-15)19(23(27)28)24-21(25-22)18-13-7-12-17(18)16-10-5-2-6-11-16/h1-6,8-11,17-18H,7,12-14H2,(H,27,28)(H,24,25,26)
InChIKeyUACGVZNRMNHKEC-UHFFFAOYSA-N
XLogP4.10
TPSA92.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 6-oxo-2-(2-phenylcyclopentyl)-5-phenylmethoxy-1H-pyrimidine-4-carboxylate
CID 137069087
methyl 2-cyclopropyl-6-oxo-5-phenylmethoxy-1H-pyrimidine-4-carboxylate
CID 137027779
6-oxo-2-[(1-phenylcyclopentyl)methyl]-5-phenylmethoxy-1H-pyrimidine-4-carboxylic acid
CID 136509186
3,4-bis(phenylmethoxy)pyridine-2,6-dicarboxylic acid
CID 54512111
2-[[2-(cyclohexen-1-yl)phenyl]methyl]-6-oxo-5-phenylmethoxy-1H-pyrimidine-4-carboxylic acid
CID 136509211
ethane;ethyl 2-[4-(hydroxymethyl)piperidin-1-yl]-6-oxo-5-phenylmethoxy-1H-pyrimidine-4-carboxylate
CID 143867231
tert-butyl 1-methyl-2-(4-methylmorpholin-3-yl)-6-oxo-5-phenylmethoxypyrimidine-4-carboxylate;tert-butyl 2-(4-methylmorpholin-3-yl)-6-oxo-5-phenylmethoxy-1H-pyrimidine-4-carboxylate
CID 158356940
tert-butyl 2-[[1-[(2-methylpropan-2-yl)oxy]piperidin-4-yl]methyl]-6-oxo-5-phenylmethoxy-1H-pyrimidine-4-carboxylate
CID 137150323
2-[4-(bromomethyl)phenyl]-6-oxo-5-(phenylmethoxymethoxy)-1H-pyrimidine-4-carboxylic acid
CID 136650355
2,5-dioxo-6-phenylmethoxy-1,3-dihydroimidazo[1,2-a]pyrimidine-7-carboxylic acid
CID 135772687
4-oxo-3-phenylmethoxy-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxylic acid
CID 68952685
N-cyclopropyl-N-(2-hydroxyethyl)-6-oxo-5-phenylmethoxy-2-[(1-pyridin-2-ylcyclopentyl)methyl]-1H-pyrimidine-4-carboxamide
CID 136509176

Frequently Asked Questions

What is the IUPAC name of 6-oxo-2-(2-phenylcyclopentyl)-5-phenylmethoxy-1H-pyrimidine-4-carboxylic acid?
The IUPAC name of 6-oxo-2-(2-phenylcyclopentyl)-5-phenylmethoxy-1H-pyrimidine-4-carboxylic acid (CID 137053482) is 6-oxo-2-(2-phenylcyclopentyl)-5-phenylmethoxy-1H-pyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-oxo-2-(2-phenylcyclopentyl)-5-phenylmethoxy-1H-pyrimidine-4-carboxylic acid?
The canonical SMILES for 6-oxo-2-(2-phenylcyclopentyl)-5-phenylmethoxy-1H-pyrimidine-4-carboxylic acid is O=C(O)c1nc(C2CCCC2c2ccccc2)[nH]c(=O)c1OCc1ccccc1.
What is the InChIKey of 6-oxo-2-(2-phenylcyclopentyl)-5-phenylmethoxy-1H-pyrimidine-4-carboxylic acid?
The InChIKey is UACGVZNRMNHKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O4/c26-22-20(29-14-15-8-3-1-4-9-15)19(23(27)28)24-21(25-22)18-13-7-12-17(18)16-10-5-2-6-11-16/h1-6,8-11,17-18H,7,12-14H2,(H,27,28)(H,24,25,26).
What are the key properties of 6-oxo-2-(2-phenylcyclopentyl)-5-phenylmethoxy-1H-pyrimidine-4-carboxylic acid?
6-oxo-2-(2-phenylcyclopentyl)-5-phenylmethoxy-1H-pyrimidine-4-carboxylic acid has a molecular weight of 390.44 g/mol, XLogP of 4.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-2-(2-phenylcyclopentyl)-5-phenylmethoxy-1H-pyrimidine-4-carboxylic acid is sourced from PubChem (CID 137053482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).