6-(1-hydroxybutyl)-2-phenylpyrimidine-4-carboxylic acid

C15H16N2O3 — CID 67462209

IUPAC6-(1-hydroxybutyl)-2-phenylpyrimidine-4-carboxylic acid
SMILESCCCC(O)c1cc(C(=O)O)nc(-c2ccccc2)n1
InChIInChI=1S/C15H16N2O3/c1-2-6-13(18)11-9-12(15(19)20)17-14(16-11)10-7-4-3-5-8-10/h3-5,7-9,13,18H,2,6H2,1H3,(H,19,20)
InChIKeyFWIYCWDGSXJWCR-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.68
Rot. Bonds5

About 6-(1-hydroxybutyl)-2-phenylpyrimidine-4-carboxylic acid

6-(1-hydroxybutyl)-2-phenylpyrimidine-4-carboxylic acid (PubChem CID 67462209) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 6-(1-hydroxybutyl)-2-phenylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-(1-hydroxybutyl)-2-phenylpyrimidine-4-carboxylic acid
PubChem CID67462209
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name6-(1-hydroxybutyl)-2-phenylpyrimidine-4-carboxylic acid
SMILESCCCC(O)c1cc(C(=O)O)nc(-c2ccccc2)n1
InChIInChI=1S/C15H16N2O3/c1-2-6-13(18)11-9-12(15(19)20)17-14(16-11)10-7-4-3-5-8-10/h3-5,7-9,13,18H,2,6H2,1H3,(H,19,20)
InChIKeyFWIYCWDGSXJWCR-UHFFFAOYSA-N
XLogP2.68
TPSA83.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(dimethylamino)-2-phenylpyrimidine-4-carboxylic acid
CID 82170133
(1R)-1-(4-methylquinolin-2-yl)butan-1-ol
CID 104969389
N-butan-2-yl-2-phenyl-6-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 112851959
1-(2-phenyl-6-propan-2-ylpyrimidin-4-yl)pyrazole-3-carboxylic acid
CID 56767680
2-phenylpyrimidine-4,6-dicarbonyl chloride
CID 71368048
N-butan-2-yl-6-(N-methylanilino)-2-phenylpyrimidine-4-carboxamide
CID 112852599
6-(1-aminopentyl)pyridine-2-carboxylic acid
CID 171922233
6-(ethylamino)-2-pyridin-3-ylpyrimidine-4-carboxylic acid
CID 82169826
6-(ethylamino)-2-(4-fluorophenyl)pyrimidine-4-carboxylic acid
CID 82169806
ethyl 2,6-diphenylpyrimidine-4-carboxylate
CID 15372800
6-(furan-2-ylmethylamino)-2-phenylpyrimidine-4-carboxylic acid
CID 82170122
5-(4-ethoxycarbonylpiperazin-1-yl)-4-[[6-(1-methoxyethyl)-2-phenylpyrimidine-4-carbonyl]amino]-5-oxopentanoic acid
CID 67459372

Frequently Asked Questions

What is the IUPAC name of 6-(1-hydroxybutyl)-2-phenylpyrimidine-4-carboxylic acid?
The IUPAC name of 6-(1-hydroxybutyl)-2-phenylpyrimidine-4-carboxylic acid (CID 67462209) is 6-(1-hydroxybutyl)-2-phenylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-(1-hydroxybutyl)-2-phenylpyrimidine-4-carboxylic acid?
The canonical SMILES for 6-(1-hydroxybutyl)-2-phenylpyrimidine-4-carboxylic acid is CCCC(O)c1cc(C(=O)O)nc(-c2ccccc2)n1.
What is the InChIKey of 6-(1-hydroxybutyl)-2-phenylpyrimidine-4-carboxylic acid?
The InChIKey is FWIYCWDGSXJWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-2-6-13(18)11-9-12(15(19)20)17-14(16-11)10-7-4-3-5-8-10/h3-5,7-9,13,18H,2,6H2,1H3,(H,19,20).
What are the key properties of 6-(1-hydroxybutyl)-2-phenylpyrimidine-4-carboxylic acid?
6-(1-hydroxybutyl)-2-phenylpyrimidine-4-carboxylic acid has a molecular weight of 272.30 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-hydroxybutyl)-2-phenylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 67462209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).