2-methyl-6-oxo-1-prop-2-enylpyrimidine-4-carboxylic acid

C9H10N2O3 — CID 54133355

IUPAC2-methyl-6-oxo-1-prop-2-enylpyrimidine-4-carboxylic acid
SMILESC=CCn1c(C)nc(C(=O)O)cc1=O
InChIInChI=1S/C9H10N2O3/c1-3-4-11-6(2)10-7(9(13)14)5-8(11)12/h3,5H,1,4H2,2H3,(H,13,14)
InChIKeyNVXOGYUVDTXABZ-UHFFFAOYSA-N
MW194.19 g/mol
LogP0.44
Rot. Bonds3

About 2-methyl-6-oxo-1-prop-2-enylpyrimidine-4-carboxylic acid

2-methyl-6-oxo-1-prop-2-enylpyrimidine-4-carboxylic acid (PubChem CID 54133355) has the molecular formula C9H10N2O3 and a molecular weight of 194.19 g/mol. Its IUPAC name is 2-methyl-6-oxo-1-prop-2-enylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-6-oxo-1-prop-2-enylpyrimidine-4-carboxylic acid
PubChem CID54133355
Molecular FormulaC9H10N2O3
Molecular Weight194.19 g/mol
Exact Mass194.07
IUPAC Name2-methyl-6-oxo-1-prop-2-enylpyrimidine-4-carboxylic acid
SMILESC=CCn1c(C)nc(C(=O)O)cc1=O
InChIInChI=1S/C9H10N2O3/c1-3-4-11-6(2)10-7(9(13)14)5-8(11)12/h3,5H,1,4H2,2H3,(H,13,14)
InChIKeyNVXOGYUVDTXABZ-UHFFFAOYSA-N
XLogP0.44
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-oxo-4H-Pyrido[1,2-a]pyrimidine-2-carboxylic acid
CID 53439993
7-Fluoro-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid
CID 115025651
9-Fluoro-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid
CID 115025653
2-(2,4-Dimethyl-6-oxopyrimidin-1-yl)-2-fluoroacetic acid
CID 81297619
8-Fluoro-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid
CID 115025650
3-(4-Oxopyrido[1,2-a]pyrimidin-2-yl)prop-2-enoic acid
CID 90044697
3-acetyl-4H-pyrimidine-6-carboxylic acid
CID 91184220
8-Chloro-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid
CID 115034766
7-Chloro-4-oxo-4H-pyrido[1,2-A]pyrimidine-2-carboxylic acid
CID 115034767
(E)-3-(4-oxopyrido[1,2-a]pyrimidin-2-yl)prop-2-enoic acid
CID 118292497
4H-pyrimido[1,2-d][1,4]diazepine-2,8-dicarboxylic acid
CID 149254002
6-Oxo-1-propylpyrimidine-4-carboxylic acid
CID 150074973

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-oxo-1-prop-2-enylpyrimidine-4-carboxylic acid?
The IUPAC name of 2-methyl-6-oxo-1-prop-2-enylpyrimidine-4-carboxylic acid (CID 54133355) is 2-methyl-6-oxo-1-prop-2-enylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-methyl-6-oxo-1-prop-2-enylpyrimidine-4-carboxylic acid?
The canonical SMILES for 2-methyl-6-oxo-1-prop-2-enylpyrimidine-4-carboxylic acid is C=CCn1c(C)nc(C(=O)O)cc1=O.
What is the InChIKey of 2-methyl-6-oxo-1-prop-2-enylpyrimidine-4-carboxylic acid?
The InChIKey is NVXOGYUVDTXABZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3/c1-3-4-11-6(2)10-7(9(13)14)5-8(11)12/h3,5H,1,4H2,2H3,(H,13,14).
What are the key properties of 2-methyl-6-oxo-1-prop-2-enylpyrimidine-4-carboxylic acid?
2-methyl-6-oxo-1-prop-2-enylpyrimidine-4-carboxylic acid has a molecular weight of 194.19 g/mol, XLogP of 0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-oxo-1-prop-2-enylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 54133355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).