2-cyclopentyl-6-oxo-1H-pyrimidine-5-carbonitrile

C10H11N3O — CID 83697528

IUPAC2-cyclopentyl-6-oxo-1H-pyrimidine-5-carbonitrile
SMILESN#Cc1cnc(C2CCCC2)[nH]c1=O
InChIInChI=1S/C10H11N3O/c11-5-8-6-12-9(13-10(8)14)7-3-1-2-4-7/h6-7H,1-4H2,(H,12,13,14)
InChIKeyMWAQYAKMSKAQJA-UHFFFAOYSA-N
MW189.22 g/mol
LogP1.30
Rot. Bonds1

About 2-cyclopentyl-6-oxo-1H-pyrimidine-5-carbonitrile

2-cyclopentyl-6-oxo-1H-pyrimidine-5-carbonitrile (PubChem CID 83697528) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 2-cyclopentyl-6-oxo-1H-pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-cyclopentyl-6-oxo-1H-pyrimidine-5-carbonitrile
PubChem CID83697528
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name2-cyclopentyl-6-oxo-1H-pyrimidine-5-carbonitrile
SMILESN#Cc1cnc(C2CCCC2)[nH]c1=O
InChIInChI=1S/C10H11N3O/c11-5-8-6-12-9(13-10(8)14)7-3-1-2-4-7/h6-7H,1-4H2,(H,12,13,14)
InChIKeyMWAQYAKMSKAQJA-UHFFFAOYSA-N
XLogP1.30
TPSA69.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Cyclopentylpyrimidin-4-ol
CID 45787582
2-(3,3-difluorocyclohexyl)-6-oxo-1H-pyrimidine-5-carbonitrile
CID 114216764
2-butyl-6-oxo-1H-pyrimidine-5-carbonitrile
CID 21734348
2-cyclopentyl-5-iodo-1H-pyrimidin-6-one
CID 66314711
5-(aminomethyl)-2-cyclopentyl-1H-pyrimidin-6-one
CID 82505089
6-oxo-2-propan-2-yl-1H-pyrimidine-5-carbonitrile
CID 82652324
6-oxo-2-propyl-1H-pyrimidine-5-carbonitrile
CID 83694879
5-(2-aminoethyl)-2-cyclopentyl-1H-pyrimidin-6-one
CID 83852181
2-cyclopentyl-5-(methylaminomethyl)-1H-pyrimidin-6-one
CID 84120060
2-(3-methylcyclohexyl)-6-oxo-1H-pyrimidine-5-carbonitrile
CID 104189721
6-oxo-2-(4-propan-2-ylcyclohexyl)-1H-pyrimidine-5-carbonitrile
CID 104189728
2-(3-ethylcyclohexyl)-6-oxo-1H-pyrimidine-5-carbonitrile
CID 104189729

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-6-oxo-1H-pyrimidine-5-carbonitrile?
The IUPAC name of 2-cyclopentyl-6-oxo-1H-pyrimidine-5-carbonitrile (CID 83697528) is 2-cyclopentyl-6-oxo-1H-pyrimidine-5-carbonitrile.
What is the SMILES notation for 2-cyclopentyl-6-oxo-1H-pyrimidine-5-carbonitrile?
The canonical SMILES for 2-cyclopentyl-6-oxo-1H-pyrimidine-5-carbonitrile is N#Cc1cnc(C2CCCC2)[nH]c1=O.
What is the InChIKey of 2-cyclopentyl-6-oxo-1H-pyrimidine-5-carbonitrile?
The InChIKey is MWAQYAKMSKAQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c11-5-8-6-12-9(13-10(8)14)7-3-1-2-4-7/h6-7H,1-4H2,(H,12,13,14).
What are the key properties of 2-cyclopentyl-6-oxo-1H-pyrimidine-5-carbonitrile?
2-cyclopentyl-6-oxo-1H-pyrimidine-5-carbonitrile has a molecular weight of 189.22 g/mol, XLogP of 1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-6-oxo-1H-pyrimidine-5-carbonitrile is sourced from PubChem (CID 83697528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).