2-butyl-4-hydroxy-6-oxo-1-(1-phenylpropyl)pyrimidine-5-carboxylic acid

C18H22N2O4 — CID 137197869

IUPAC2-butyl-4-hydroxy-6-oxo-1-(1-phenylpropyl)pyrimidine-5-carboxylic acid
SMILESCCCCc1nc(O)c(C(=O)O)c(=O)n1C(CC)c1ccccc1
InChIInChI=1S/C18H22N2O4/c1-3-5-11-14-19-16(21)15(18(23)24)17(22)20(14)13(4-2)12-9-7-6-8-10-12/h6-10,13,21H,3-5,11H2,1-2H3,(H,23,24)
InChIKeyYOMIWEKFUVNOFI-UHFFFAOYSA-N
MW330.38 g/mol
LogP2.99
Rot. Bonds7

About 2-butyl-4-hydroxy-6-oxo-1-(1-phenylpropyl)pyrimidine-5-carboxylic acid

2-butyl-4-hydroxy-6-oxo-1-(1-phenylpropyl)pyrimidine-5-carboxylic acid (PubChem CID 137197869) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is 2-butyl-4-hydroxy-6-oxo-1-(1-phenylpropyl)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-butyl-4-hydroxy-6-oxo-1-(1-phenylpropyl)pyrimidine-5-carboxylic acid
PubChem CID137197869
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Name2-butyl-4-hydroxy-6-oxo-1-(1-phenylpropyl)pyrimidine-5-carboxylic acid
SMILESCCCCc1nc(O)c(C(=O)O)c(=O)n1C(CC)c1ccccc1
InChIInChI=1S/C18H22N2O4/c1-3-5-11-14-19-16(21)15(18(23)24)17(22)20(14)13(4-2)12-9-7-6-8-10-12/h6-10,13,21H,3-5,11H2,1-2H3,(H,23,24)
InChIKeyYOMIWEKFUVNOFI-UHFFFAOYSA-N
XLogP2.99
TPSA92.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-butyl-5-[3-(3,5-difluoro-2-pyridinyl)pyrrolidine-1-carbonyl]-6-hydroxy-3-(1-phenylpropyl)pyrimidin-4-one
CID 137370165
2-butyl-6-hydroxy-3-[(1R)-1-phenylethyl]-5-[(3S)-3-phenylpyrrolidine-1-carbonyl]pyrimidin-4-one
CID 137198073
6-hydroxy-3-(2-methoxy-1-phenylethyl)-5-[(3R)-3-phenylpyrrolidine-1-carbonyl]-2-propylpyrimidin-4-one
CID 166720919
2-butyl-5-[3-(5-chloro-3-fluoro-2-pyridinyl)pyrrolidine-1-carbonyl]-3-[(1S)-1-(3,5-difluorophenyl)propyl]-6-hydroxypyrimidin-4-one
CID 137197952
2-butyl-5-[3-(5-chloro-3-fluoro-2-pyridinyl)pyrrolidine-1-carbonyl]-3-[(1R)-1-(3,5-difluorophenyl)propyl]-6-hydroxypyrimidin-4-one
CID 137238860
2-butyl-3-[1-(3-fluorophenyl)propyl]-5-[4-(5-fluoro-3-pyridinyl)phenyl]sulfonyl-6-hydroxypyrimidin-4-one
CID 138698222
2-butyl-6-hydroxy-3-(2-methoxy-1-phenylethyl)-5-[4-(2-methyl-3-pyridinyl)phenyl]sulfonylpyrimidin-4-one
CID 138698348
6-hydroxy-3-[(1R)-2-hydroxy-1-phenylethyl]-5-[4-(2-methyl-3-pyridinyl)phenyl]sulfonyl-2-pentylpyrimidin-4-one
CID 139292819
2-butyl-5-[4-(5-chloro-2-oxo-1-pyridinyl)phenyl]sulfonyl-6-hydroxy-3-[(1R)-2-methoxy-1-phenylethyl]pyrimidin-4-one
CID 138697857
2-butyl-5-[4-(6-fluoro-2-methyl-3-pyridinyl)phenyl]sulfonyl-6-hydroxy-3-[(1R)-2-methoxy-1-phenylethyl]pyrimidin-4-one
CID 138697459
6-hydroxy-3-[(1R)-2-hydroxy-1-phenylethyl]-5-[4-(3-methyl-4-pyridinyl)phenyl]sulfonyl-2-pentylpyrimidin-4-one
CID 139292746
2-butyl-6-hydroxy-3-[(1R)-2-methoxy-1-phenylethyl]-5-[5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl]pyrimidin-4-one
CID 137359463

Frequently Asked Questions

What is the IUPAC name of 2-butyl-4-hydroxy-6-oxo-1-(1-phenylpropyl)pyrimidine-5-carboxylic acid?
The IUPAC name of 2-butyl-4-hydroxy-6-oxo-1-(1-phenylpropyl)pyrimidine-5-carboxylic acid (CID 137197869) is 2-butyl-4-hydroxy-6-oxo-1-(1-phenylpropyl)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-butyl-4-hydroxy-6-oxo-1-(1-phenylpropyl)pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-butyl-4-hydroxy-6-oxo-1-(1-phenylpropyl)pyrimidine-5-carboxylic acid is CCCCc1nc(O)c(C(=O)O)c(=O)n1C(CC)c1ccccc1.
What is the InChIKey of 2-butyl-4-hydroxy-6-oxo-1-(1-phenylpropyl)pyrimidine-5-carboxylic acid?
The InChIKey is YOMIWEKFUVNOFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-3-5-11-14-19-16(21)15(18(23)24)17(22)20(14)13(4-2)12-9-7-6-8-10-12/h6-10,13,21H,3-5,11H2,1-2H3,(H,23,24).
What are the key properties of 2-butyl-4-hydroxy-6-oxo-1-(1-phenylpropyl)pyrimidine-5-carboxylic acid?
2-butyl-4-hydroxy-6-oxo-1-(1-phenylpropyl)pyrimidine-5-carboxylic acid has a molecular weight of 330.38 g/mol, XLogP of 2.99, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4-hydroxy-6-oxo-1-(1-phenylpropyl)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 137197869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).