1-methyl-2-oxo-4-propylpyrimidine-5-carboxylic acid

C9H12N2O3 — CID 116851742

IUPAC1-methyl-2-oxo-4-propylpyrimidine-5-carboxylic acid
SMILESCCCc1nc(=O)n(C)cc1C(=O)O
InChIInChI=1S/C9H12N2O3/c1-3-4-7-6(8(12)13)5-11(2)9(14)10-7/h5H,3-4H2,1-2H3,(H,12,13)
InChIKeyYKFSIZKSAPUBPM-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.43
Rot. Bonds3

About 1-methyl-2-oxo-4-propylpyrimidine-5-carboxylic acid

1-methyl-2-oxo-4-propylpyrimidine-5-carboxylic acid (PubChem CID 116851742) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 1-methyl-2-oxo-4-propylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name1-methyl-2-oxo-4-propylpyrimidine-5-carboxylic acid
PubChem CID116851742
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name1-methyl-2-oxo-4-propylpyrimidine-5-carboxylic acid
SMILESCCCc1nc(=O)n(C)cc1C(=O)O
InChIInChI=1S/C9H12N2O3/c1-3-4-7-6(8(12)13)5-11(2)9(14)10-7/h5H,3-4H2,1-2H3,(H,12,13)
InChIKeyYKFSIZKSAPUBPM-UHFFFAOYSA-N
XLogP0.43
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-oxo-4-propylpyrimidine-5-carboxylic acid?
The IUPAC name of 1-methyl-2-oxo-4-propylpyrimidine-5-carboxylic acid (CID 116851742) is 1-methyl-2-oxo-4-propylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 1-methyl-2-oxo-4-propylpyrimidine-5-carboxylic acid?
The canonical SMILES for 1-methyl-2-oxo-4-propylpyrimidine-5-carboxylic acid is CCCc1nc(=O)n(C)cc1C(=O)O.
What is the InChIKey of 1-methyl-2-oxo-4-propylpyrimidine-5-carboxylic acid?
The InChIKey is YKFSIZKSAPUBPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-3-4-7-6(8(12)13)5-11(2)9(14)10-7/h5H,3-4H2,1-2H3,(H,12,13).
What are the key properties of 1-methyl-2-oxo-4-propylpyrimidine-5-carboxylic acid?
1-methyl-2-oxo-4-propylpyrimidine-5-carboxylic acid has a molecular weight of 196.21 g/mol, XLogP of 0.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-oxo-4-propylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 116851742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).