6-oxo-2-(3-phenylpropyl)-1H-pyrimidine-5-carboxylic acid

C14H14N2O3 — CID 82168303

IUPAC6-oxo-2-(3-phenylpropyl)-1H-pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cnc(CCCc2ccccc2)[nH]c1=O
InChIInChI=1S/C14H14N2O3/c17-13-11(14(18)19)9-15-12(16-13)8-4-7-10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8H2,(H,18,19)(H,15,16,17)
InChIKeyYUCLUVNVENRHOU-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.64
Rot. Bonds5

About 6-oxo-2-(3-phenylpropyl)-1H-pyrimidine-5-carboxylic acid

6-oxo-2-(3-phenylpropyl)-1H-pyrimidine-5-carboxylic acid (PubChem CID 82168303) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 6-oxo-2-(3-phenylpropyl)-1H-pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name6-oxo-2-(3-phenylpropyl)-1H-pyrimidine-5-carboxylic acid
PubChem CID82168303
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name6-oxo-2-(3-phenylpropyl)-1H-pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cnc(CCCc2ccccc2)[nH]c1=O
InChIInChI=1S/C14H14N2O3/c17-13-11(14(18)19)9-15-12(16-13)8-4-7-10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8H2,(H,18,19)(H,15,16,17)
InChIKeyYUCLUVNVENRHOU-UHFFFAOYSA-N
XLogP1.64
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[benzyl(methylsulfonyl)amino]methyl]-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 53214761
2-[(4-bromophenyl)methyl]-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 62021303
2-(naphthalen-1-ylmethyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 99976497
6-oxo-2-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]-1H-pyrimidine-5-carboxylic acid
CID 53214769
2-[(2-bromophenyl)sulfanylmethyl]-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 66144099
azane;5-phenyl-2-(3-phenylpropyl)-1H-imidazole
CID 174441840
6-oxo-2-(4-pentylphenyl)-1H-pyrimidine-5-carboxylic acid
CID 21393239
2-(methylsulfonylmethyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 62473467
2-(2-aminopropyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 83699172
6-oxo-2-(propan-2-ylsulfanylmethyl)-1H-pyrimidine-5-carboxylic acid
CID 65131337
2-[(4-tert-butylphenoxy)methyl]-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 82168285
3,5-bis(3-phenylpropoxy)benzoic acid
CID 18951534

Frequently Asked Questions

What is the IUPAC name of 6-oxo-2-(3-phenylpropyl)-1H-pyrimidine-5-carboxylic acid?
The IUPAC name of 6-oxo-2-(3-phenylpropyl)-1H-pyrimidine-5-carboxylic acid (CID 82168303) is 6-oxo-2-(3-phenylpropyl)-1H-pyrimidine-5-carboxylic acid.
What is the SMILES notation for 6-oxo-2-(3-phenylpropyl)-1H-pyrimidine-5-carboxylic acid?
The canonical SMILES for 6-oxo-2-(3-phenylpropyl)-1H-pyrimidine-5-carboxylic acid is O=C(O)c1cnc(CCCc2ccccc2)[nH]c1=O.
What is the InChIKey of 6-oxo-2-(3-phenylpropyl)-1H-pyrimidine-5-carboxylic acid?
The InChIKey is YUCLUVNVENRHOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c17-13-11(14(18)19)9-15-12(16-13)8-4-7-10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8H2,(H,18,19)(H,15,16,17).
What are the key properties of 6-oxo-2-(3-phenylpropyl)-1H-pyrimidine-5-carboxylic acid?
6-oxo-2-(3-phenylpropyl)-1H-pyrimidine-5-carboxylic acid has a molecular weight of 258.28 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-2-(3-phenylpropyl)-1H-pyrimidine-5-carboxylic acid is sourced from PubChem (CID 82168303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).