2-(1-phenylcyclopentyl)pyrimidine-5-carboxylic acid

C16H16N2O2 — CID 63080980

IUPAC2-(1-phenylcyclopentyl)pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cnc(C2(c3ccccc3)CCCC2)nc1
InChIInChI=1S/C16H16N2O2/c19-14(20)12-10-17-15(18-11-12)16(8-4-5-9-16)13-6-2-1-3-7-13/h1-3,6-7,10-11H,4-5,8-9H2,(H,19,20)
InChIKeyMEQREDVGYHWVHJ-UHFFFAOYSA-N
MW268.32 g/mol
LogP3.03
Rot. Bonds3

About 2-(1-phenylcyclopentyl)pyrimidine-5-carboxylic acid

2-(1-phenylcyclopentyl)pyrimidine-5-carboxylic acid (PubChem CID 63080980) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-(1-phenylcyclopentyl)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-(1-phenylcyclopentyl)pyrimidine-5-carboxylic acid
PubChem CID63080980
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name2-(1-phenylcyclopentyl)pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cnc(C2(c3ccccc3)CCCC2)nc1
InChIInChI=1S/C16H16N2O2/c19-14(20)12-10-17-15(18-11-12)16(8-4-5-9-16)13-6-2-1-3-7-13/h1-3,6-7,10-11H,4-5,8-9H2,(H,19,20)
InChIKeyMEQREDVGYHWVHJ-UHFFFAOYSA-N
XLogP3.03
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-phenylcyclopentyl)pyrimidine-5-carboxylic acid?
The IUPAC name of 2-(1-phenylcyclopentyl)pyrimidine-5-carboxylic acid (CID 63080980) is 2-(1-phenylcyclopentyl)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-(1-phenylcyclopentyl)pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-(1-phenylcyclopentyl)pyrimidine-5-carboxylic acid is O=C(O)c1cnc(C2(c3ccccc3)CCCC2)nc1.
What is the InChIKey of 2-(1-phenylcyclopentyl)pyrimidine-5-carboxylic acid?
The InChIKey is MEQREDVGYHWVHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c19-14(20)12-10-17-15(18-11-12)16(8-4-5-9-16)13-6-2-1-3-7-13/h1-3,6-7,10-11H,4-5,8-9H2,(H,19,20).
What are the key properties of 2-(1-phenylcyclopentyl)pyrimidine-5-carboxylic acid?
2-(1-phenylcyclopentyl)pyrimidine-5-carboxylic acid has a molecular weight of 268.32 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenylcyclopentyl)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 63080980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).