2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidine-4-carboxylic acid

C8H7ClN2O2 — CID 39240040

IUPAC2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidine-4-carboxylic acid
SMILESO=C(O)c1nc(Cl)nc2c1CCC2
InChIInChI=1S/C8H7ClN2O2/c9-8-10-5-3-1-2-4(5)6(11-8)7(12)13/h1-3H2,(H,12,13)
InChIKeyJVMIZQNVEVYWOY-UHFFFAOYSA-N
MW198.61 g/mol
LogP1.32
Rot. Bonds1

About 2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidine-4-carboxylic acid

2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidine-4-carboxylic acid (PubChem CID 39240040) has the molecular formula C8H7ClN2O2 and a molecular weight of 198.61 g/mol. Its IUPAC name is 2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidine-4-carboxylic acid
PubChem CID39240040
Molecular FormulaC8H7ClN2O2
Molecular Weight198.61 g/mol
Exact Mass198.02
IUPAC Name2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidine-4-carboxylic acid
SMILESO=C(O)c1nc(Cl)nc2c1CCC2
InChIInChI=1S/C8H7ClN2O2/c9-8-10-5-3-1-2-4(5)6(11-8)7(12)13/h1-3H2,(H,12,13)
InChIKeyJVMIZQNVEVYWOY-UHFFFAOYSA-N
XLogP1.32
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.61
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidine-4-carboxylic acid?
The IUPAC name of 2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidine-4-carboxylic acid (CID 39240040) is 2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidine-4-carboxylic acid?
The canonical SMILES for 2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidine-4-carboxylic acid is O=C(O)c1nc(Cl)nc2c1CCC2.
What is the InChIKey of 2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidine-4-carboxylic acid?
The InChIKey is JVMIZQNVEVYWOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2O2/c9-8-10-5-3-1-2-4(5)6(11-8)7(12)13/h1-3H2,(H,12,13).
What are the key properties of 2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidine-4-carboxylic acid?
2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidine-4-carboxylic acid has a molecular weight of 198.61 g/mol, XLogP of 1.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidine-4-carboxylic acid is sourced from PubChem (CID 39240040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).