5-oxo-2-propan-2-yl-6,7-dihydrocyclopenta[d]pyrimidine-4-carboxylic acid

C11H12N2O3 — CID 83863458

IUPAC5-oxo-2-propan-2-yl-6,7-dihydrocyclopenta[d]pyrimidine-4-carboxylic acid
SMILESCC(C)c1nc2c(c(C(=O)O)n1)C(=O)CC2
InChIInChI=1S/C11H12N2O3/c1-5(2)10-12-6-3-4-7(14)8(6)9(13-10)11(15)16/h5H,3-4H2,1-2H3,(H,15,16)
InChIKeyYYZSENHDDVZLGI-UHFFFAOYSA-N
MW220.23 g/mol
LogP1.43
Rot. Bonds2

About 5-oxo-2-propan-2-yl-6,7-dihydrocyclopenta[d]pyrimidine-4-carboxylic acid

5-oxo-2-propan-2-yl-6,7-dihydrocyclopenta[d]pyrimidine-4-carboxylic acid (PubChem CID 83863458) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is 5-oxo-2-propan-2-yl-6,7-dihydrocyclopenta[d]pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name5-oxo-2-propan-2-yl-6,7-dihydrocyclopenta[d]pyrimidine-4-carboxylic acid
PubChem CID83863458
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name5-oxo-2-propan-2-yl-6,7-dihydrocyclopenta[d]pyrimidine-4-carboxylic acid
SMILESCC(C)c1nc2c(c(C(=O)O)n1)C(=O)CC2
InChIInChI=1S/C11H12N2O3/c1-5(2)10-12-6-3-4-7(14)8(6)9(13-10)11(15)16/h5H,3-4H2,1-2H3,(H,15,16)
InChIKeyYYZSENHDDVZLGI-UHFFFAOYSA-N
XLogP1.43
TPSA80.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-diethyl 5H,6H,7H-cyclopenta[d]pyrimidine-2,4-dicarboxylate
CID 14141450
2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine-4-carboxylic acid
CID 83824000
6-Ethyl-5-methyl-2-(trifluoromethyl)pyrimidine-4-carboxylic acid
CID 83824189
2,6-Diamino-5-butylpyrimidine-4-carboxylic acid
CID 20188176
2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidine-4-carboxylic acid
CID 39240040
methyl 2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidine-4-carboxylate
CID 39243139
5H,6H,7H-cyclopenta[d]pyrimidine-4-carboxylic acid
CID 82414974
ethyl 2-methoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidine-4-carboxylate
CID 117605155
2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-4-carboxylic acid
CID 117605943
methyl 2-prop-1-enyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-4-carboxylate
CID 123601487
2,5,6-Triacetylpyrimidine-4-carboxylic acid
CID 142758192
2-Chloro-6-cyclopropyl-5-methylpyrimidine-4-carboxylic acid
CID 175483468

Frequently Asked Questions

What is the IUPAC name of 5-oxo-2-propan-2-yl-6,7-dihydrocyclopenta[d]pyrimidine-4-carboxylic acid?
The IUPAC name of 5-oxo-2-propan-2-yl-6,7-dihydrocyclopenta[d]pyrimidine-4-carboxylic acid (CID 83863458) is 5-oxo-2-propan-2-yl-6,7-dihydrocyclopenta[d]pyrimidine-4-carboxylic acid.
What is the SMILES notation for 5-oxo-2-propan-2-yl-6,7-dihydrocyclopenta[d]pyrimidine-4-carboxylic acid?
The canonical SMILES for 5-oxo-2-propan-2-yl-6,7-dihydrocyclopenta[d]pyrimidine-4-carboxylic acid is CC(C)c1nc2c(c(C(=O)O)n1)C(=O)CC2.
What is the InChIKey of 5-oxo-2-propan-2-yl-6,7-dihydrocyclopenta[d]pyrimidine-4-carboxylic acid?
The InChIKey is YYZSENHDDVZLGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-5(2)10-12-6-3-4-7(14)8(6)9(13-10)11(15)16/h5H,3-4H2,1-2H3,(H,15,16).
What are the key properties of 5-oxo-2-propan-2-yl-6,7-dihydrocyclopenta[d]pyrimidine-4-carboxylic acid?
5-oxo-2-propan-2-yl-6,7-dihydrocyclopenta[d]pyrimidine-4-carboxylic acid has a molecular weight of 220.23 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-2-propan-2-yl-6,7-dihydrocyclopenta[d]pyrimidine-4-carboxylic acid is sourced from PubChem (CID 83863458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).