6-methyl-4-oxo-3,7-dihydrocyclopenta[d]pyrimidine-5-carboxylic acid

C9H8N2O3 — CID 167021420

IUPAC6-methyl-4-oxo-3,7-dihydrocyclopenta[d]pyrimidine-5-carboxylic acid
SMILESCC1=C(C(=O)O)c2c(nc[nH]c2=O)C1
InChIInChI=1S/C9H8N2O3/c1-4-2-5-7(6(4)9(13)14)8(12)11-3-10-5/h3H,2H2,1H3,(H,13,14)(H,10,11,12)
InChIKeyTWIZSRDXPXQDMT-UHFFFAOYSA-N
MW192.17 g/mol
LogP0.18
Rot. Bonds1

About 6-methyl-4-oxo-3,7-dihydrocyclopenta[d]pyrimidine-5-carboxylic acid

6-methyl-4-oxo-3,7-dihydrocyclopenta[d]pyrimidine-5-carboxylic acid (PubChem CID 167021420) has the molecular formula C9H8N2O3 and a molecular weight of 192.17 g/mol. Its IUPAC name is 6-methyl-4-oxo-3,7-dihydrocyclopenta[d]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name6-methyl-4-oxo-3,7-dihydrocyclopenta[d]pyrimidine-5-carboxylic acid
PubChem CID167021420
Molecular FormulaC9H8N2O3
Molecular Weight192.17 g/mol
Exact Mass192.05
IUPAC Name6-methyl-4-oxo-3,7-dihydrocyclopenta[d]pyrimidine-5-carboxylic acid
SMILESCC1=C(C(=O)O)c2c(nc[nH]c2=O)C1
InChIInChI=1S/C9H8N2O3/c1-4-2-5-7(6(4)9(13)14)8(12)11-3-10-5/h3H,2H2,1H3,(H,13,14)(H,10,11,12)
InChIKeyTWIZSRDXPXQDMT-UHFFFAOYSA-N
XLogP0.18
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-oxo-3,7-dihydrocyclopenta[d]pyrimidine-5-carboxylic acid?
The IUPAC name of 6-methyl-4-oxo-3,7-dihydrocyclopenta[d]pyrimidine-5-carboxylic acid (CID 167021420) is 6-methyl-4-oxo-3,7-dihydrocyclopenta[d]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 6-methyl-4-oxo-3,7-dihydrocyclopenta[d]pyrimidine-5-carboxylic acid?
The canonical SMILES for 6-methyl-4-oxo-3,7-dihydrocyclopenta[d]pyrimidine-5-carboxylic acid is CC1=C(C(=O)O)c2c(nc[nH]c2=O)C1.
What is the InChIKey of 6-methyl-4-oxo-3,7-dihydrocyclopenta[d]pyrimidine-5-carboxylic acid?
The InChIKey is TWIZSRDXPXQDMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O3/c1-4-2-5-7(6(4)9(13)14)8(12)11-3-10-5/h3H,2H2,1H3,(H,13,14)(H,10,11,12).
What are the key properties of 6-methyl-4-oxo-3,7-dihydrocyclopenta[d]pyrimidine-5-carboxylic acid?
6-methyl-4-oxo-3,7-dihydrocyclopenta[d]pyrimidine-5-carboxylic acid has a molecular weight of 192.17 g/mol, XLogP of 0.18, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-oxo-3,7-dihydrocyclopenta[d]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 167021420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).