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

C9H11N3O4 — CID 144556041

IUPAC6-oxo-5-(propylcarbamoyl)-1H-pyrimidine-2-carboxylic acid
SMILESCCCNC(=O)c1cnc(C(=O)O)[nH]c1=O
InChIInChI=1S/C9H11N3O4/c1-2-3-10-7(13)5-4-11-6(9(15)16)12-8(5)14/h4H,2-3H2,1H3,(H,10,13)(H,15,16)(H,11,12,14)
InChIKeyZCPLBWDYMJZVAQ-UHFFFAOYSA-N
MW225.20 g/mol
LogP-0.39
Rot. Bonds4

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

6-oxo-5-(propylcarbamoyl)-1H-pyrimidine-2-carboxylic acid (PubChem CID 144556041) has the molecular formula C9H11N3O4 and a molecular weight of 225.20 g/mol. Its IUPAC name is 6-oxo-5-(propylcarbamoyl)-1H-pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name6-oxo-5-(propylcarbamoyl)-1H-pyrimidine-2-carboxylic acid
PubChem CID144556041
Molecular FormulaC9H11N3O4
Molecular Weight225.20 g/mol
Exact Mass225.07
IUPAC Name6-oxo-5-(propylcarbamoyl)-1H-pyrimidine-2-carboxylic acid
SMILESCCCNC(=O)c1cnc(C(=O)O)[nH]c1=O
InChIInChI=1S/C9H11N3O4/c1-2-3-10-7(13)5-4-11-6(9(15)16)12-8(5)14/h4H,2-3H2,1H3,(H,10,13)(H,15,16)(H,11,12,14)
InChIKeyZCPLBWDYMJZVAQ-UHFFFAOYSA-N
XLogP-0.39
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(hydroxymethyl)-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 144556016
2-methyl-3-[[6-oxo-5-(propylcarbamoyl)-1H-pyrimidine-2-carbonyl]amino]propanoic acid
CID 145057827
3-[(5-carbamoyl-6-oxo-1H-pyrimidine-2-carbonyl)amino]propanoic acid
CID 145549740
2-[(5-carbamoyl-6-oxo-1H-pyrimidine-2-carbonyl)amino]acetic acid
CID 145549742
3-[[5-(methylcarbamoyl)-6-oxo-1H-pyrimidine-2-carbonyl]amino]propanoic acid
CID 149260851
(2S)-3-methyl-2-{[(2-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)carbonyl]amino}butanoic acid
CID 121511427
2-methyl-3-[(5-methyl-6-oxo-1H-pyrimidine-2-carbonyl)amino]propanoic acid
CID 145057810
2-[(2-ethyl-6-oxo-1H-pyrimidine-5-carbonyl)-methylamino]-2-methylpropanoic acid
CID 166393135
2-methyl-2-[methyl-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)amino]propanoic acid
CID 167930644

Frequently Asked Questions

What is the IUPAC name of 6-oxo-5-(propylcarbamoyl)-1H-pyrimidine-2-carboxylic acid?
The IUPAC name of 6-oxo-5-(propylcarbamoyl)-1H-pyrimidine-2-carboxylic acid (CID 144556041) is 6-oxo-5-(propylcarbamoyl)-1H-pyrimidine-2-carboxylic acid.
What is the SMILES notation for 6-oxo-5-(propylcarbamoyl)-1H-pyrimidine-2-carboxylic acid?
The canonical SMILES for 6-oxo-5-(propylcarbamoyl)-1H-pyrimidine-2-carboxylic acid is CCCNC(=O)c1cnc(C(=O)O)[nH]c1=O.
What is the InChIKey of 6-oxo-5-(propylcarbamoyl)-1H-pyrimidine-2-carboxylic acid?
The InChIKey is ZCPLBWDYMJZVAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O4/c1-2-3-10-7(13)5-4-11-6(9(15)16)12-8(5)14/h4H,2-3H2,1H3,(H,10,13)(H,15,16)(H,11,12,14).
What are the key properties of 6-oxo-5-(propylcarbamoyl)-1H-pyrimidine-2-carboxylic acid?
6-oxo-5-(propylcarbamoyl)-1H-pyrimidine-2-carboxylic acid has a molecular weight of 225.20 g/mol, XLogP of -0.39, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-5-(propylcarbamoyl)-1H-pyrimidine-2-carboxylic acid is sourced from PubChem (CID 144556041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).