2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-6-carboxylic acid

C9H10N2O2 — CID 82410139

IUPAC2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-6-carboxylic acid
SMILESCc1ncc2c(n1)CC(C(=O)O)C2
InChIInChI=1S/C9H10N2O2/c1-5-10-4-7-2-6(9(12)13)3-8(7)11-5/h4,6H,2-3H2,1H3,(H,12,13)
InChIKeyNPMCEXMFQFTCAK-UHFFFAOYSA-N
MW178.19 g/mol
LogP0.58
Rot. Bonds1

About 2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-6-carboxylic acid

2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-6-carboxylic acid (PubChem CID 82410139) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is 2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-6-carboxylic acid
PubChem CID82410139
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-6-carboxylic acid
SMILESCc1ncc2c(n1)CC(C(=O)O)C2
InChIInChI=1S/C9H10N2O2/c1-5-10-4-7-2-6(9(12)13)3-8(7)11-5/h4,6H,2-3H2,1H3,(H,12,13)
InChIKeyNPMCEXMFQFTCAK-UHFFFAOYSA-N
XLogP0.58
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methyl-5,6,7,8-tetrahydroquinazolin-7-yl)acetic acid
CID 82396006
3-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridine-6-carboxylic acid
CID 115024064
2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxylic acid
CID 21260374
2-propan-2-yl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid
CID 66686629
2-methyl-5,6,7,8-tetrahydroquinazoline-5-carboxylic acid
CID 83861952
2-(4-methylpiperidin-1-yl)-5,6,7,8-tetrahydroquinazoline-7-carboxylic acid
CID 83290534
2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxylic acid
CID 115038076
2-(1-methoxyethyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid
CID 81423489
2-butan-2-yl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid
CID 81423692
3-cyclobutyl-6,7-dihydro-5H-cyclopenta[c]pyridine-6-carboxylic acid
CID 115030072
8,9-dihydro-7H-benzo[de]quinoline-8-carboxylic acid
CID 54247159
6,7-dihydro-5H-cyclopenta[c]pyridine-6-carboxylic acid
CID 58852290

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-6-carboxylic acid?
The IUPAC name of 2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-6-carboxylic acid (CID 82410139) is 2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-6-carboxylic acid?
The canonical SMILES for 2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-6-carboxylic acid is Cc1ncc2c(n1)CC(C(=O)O)C2.
What is the InChIKey of 2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-6-carboxylic acid?
The InChIKey is NPMCEXMFQFTCAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c1-5-10-4-7-2-6(9(12)13)3-8(7)11-5/h4,6H,2-3H2,1H3,(H,12,13).
What are the key properties of 2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-6-carboxylic acid?
2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-6-carboxylic acid has a molecular weight of 178.19 g/mol, XLogP of 0.58, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 82410139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).