1-cyclopropyl-4-ethyl-2-oxopyrimidine-5-carboxylic acid

C10H12N2O3 — CID 116851846

IUPAC1-cyclopropyl-4-ethyl-2-oxopyrimidine-5-carboxylic acid
SMILESCCc1nc(=O)n(C2CC2)cc1C(=O)O
InChIInChI=1S/C10H12N2O3/c1-2-8-7(9(13)14)5-12(6-3-4-6)10(15)11-8/h5-6H,2-4H2,1H3,(H,13,14)
InChIKeyCQFWJPZEFPHAGJ-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.84
Rot. Bonds3

About 1-cyclopropyl-4-ethyl-2-oxopyrimidine-5-carboxylic acid

1-cyclopropyl-4-ethyl-2-oxopyrimidine-5-carboxylic acid (PubChem CID 116851846) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is 1-cyclopropyl-4-ethyl-2-oxopyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name1-cyclopropyl-4-ethyl-2-oxopyrimidine-5-carboxylic acid
PubChem CID116851846
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name1-cyclopropyl-4-ethyl-2-oxopyrimidine-5-carboxylic acid
SMILESCCc1nc(=O)n(C2CC2)cc1C(=O)O
InChIInChI=1S/C10H12N2O3/c1-2-8-7(9(13)14)5-12(6-3-4-6)10(15)11-8/h5-6H,2-4H2,1H3,(H,13,14)
InChIKeyCQFWJPZEFPHAGJ-UHFFFAOYSA-N
XLogP0.84
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-2-oxo-4-propylpyrimidine-5-carboxylic acid
CID 116851742
4-(3-bromophenyl)-1-cyclopropyl-2-oxopyrimidine-5-carboxylic acid
CID 116851857
2-ethyl-7-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 116533007
1-cyclopropyl-2,4-dioxopyrimidine-5-carboxylic acid
CID 55255033
1-cyclopropyl-8-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
CID 15622526
1-cyclopropyl-7-(3-ethyl-3-hydroxyazetidin-1-yl)-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 10067318
1-cyclopropyl-7-[(2S,3S)-2-ethyl-3-hydroxyazetidin-1-yl]-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 10090157
1-cyclopropyl-6-fluoro-4-oxo-8-propyl-7-pyrrolidin-1-ylquinoline-3-carboxylic acid
CID 143890841
2-ethyl-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylic acid
CID 116532966
2-[cyclopropyl(methyl)amino]-4-ethylpyrimidine-5-carboxylic acid
CID 83838220
1-cyclopropyl-5-methylindole-3-carboxylic acid
CID 115029082
3-ethyl-1-(2-hydroxyethyl)pyrazole-4-carboxylic acid
CID 39870092

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-ethyl-2-oxopyrimidine-5-carboxylic acid?
The IUPAC name of 1-cyclopropyl-4-ethyl-2-oxopyrimidine-5-carboxylic acid (CID 116851846) is 1-cyclopropyl-4-ethyl-2-oxopyrimidine-5-carboxylic acid.
What is the SMILES notation for 1-cyclopropyl-4-ethyl-2-oxopyrimidine-5-carboxylic acid?
The canonical SMILES for 1-cyclopropyl-4-ethyl-2-oxopyrimidine-5-carboxylic acid is CCc1nc(=O)n(C2CC2)cc1C(=O)O.
What is the InChIKey of 1-cyclopropyl-4-ethyl-2-oxopyrimidine-5-carboxylic acid?
The InChIKey is CQFWJPZEFPHAGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c1-2-8-7(9(13)14)5-12(6-3-4-6)10(15)11-8/h5-6H,2-4H2,1H3,(H,13,14).
What are the key properties of 1-cyclopropyl-4-ethyl-2-oxopyrimidine-5-carboxylic acid?
1-cyclopropyl-4-ethyl-2-oxopyrimidine-5-carboxylic acid has a molecular weight of 208.22 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-ethyl-2-oxopyrimidine-5-carboxylic acid is sourced from PubChem (CID 116851846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).