5-(2-aminoethyl)-2-cyclopentyl-1H-pyrimidin-6-one

C11H17N3O — CID 83852181

IUPAC5-(2-aminoethyl)-2-cyclopentyl-1H-pyrimidin-6-one
SMILESNCCc1cnc(C2CCCC2)[nH]c1=O
InChIInChI=1S/C11H17N3O/c12-6-5-9-7-13-10(14-11(9)15)8-3-1-2-4-8/h7-8H,1-6,12H2,(H,13,14,15)
InChIKeyOKBZJCAJQVLEPJ-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.93
Rot. Bonds3

About 5-(2-aminoethyl)-2-cyclopentyl-1H-pyrimidin-6-one

5-(2-aminoethyl)-2-cyclopentyl-1H-pyrimidin-6-one (PubChem CID 83852181) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 5-(2-aminoethyl)-2-cyclopentyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(2-aminoethyl)-2-cyclopentyl-1H-pyrimidin-6-one
PubChem CID83852181
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name5-(2-aminoethyl)-2-cyclopentyl-1H-pyrimidin-6-one
SMILESNCCc1cnc(C2CCCC2)[nH]c1=O
InChIInChI=1S/C11H17N3O/c12-6-5-9-7-13-10(14-11(9)15)8-3-1-2-4-8/h7-8H,1-6,12H2,(H,13,14,15)
InChIKeyOKBZJCAJQVLEPJ-UHFFFAOYSA-N
XLogP0.93
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-di(propan-2-yl)-1H-pyrimidin-6-one
CID 24903699
2-cyclohexyl-5-methyl-1H-pyrimidin-6-one
CID 59473971
2-methyl-5-(2-methylpropyl)-1H-pyrimidin-6-one
CID 117260666
2-ethyl-5-(2-methylpropyl)-1H-pyrimidin-6-one
CID 126542947
5-(2-methylpropyl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 126543346
2-butyl-5-heptan-4-yl-1H-pyrimidin-6-one;propane
CID 144923588
5-ethyl-2-hexan-3-yl-1H-pyrimidin-6-one
CID 177910407
2-Cyclohexyl-5-ethylpyrimidin-4(3H)-one
CID 12342969
2-(cyclopropylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 59304193
2-(cyclohexylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 59304402
5-(aminomethyl)-2-cyclopentyl-1H-pyrimidin-6-one
CID 82505089
5-(aminomethyl)-2-cyclohexyl-1H-pyrimidin-6-one
CID 82507340

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-2-cyclopentyl-1H-pyrimidin-6-one?
The IUPAC name of 5-(2-aminoethyl)-2-cyclopentyl-1H-pyrimidin-6-one (CID 83852181) is 5-(2-aminoethyl)-2-cyclopentyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(2-aminoethyl)-2-cyclopentyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-(2-aminoethyl)-2-cyclopentyl-1H-pyrimidin-6-one is NCCc1cnc(C2CCCC2)[nH]c1=O.
What is the InChIKey of 5-(2-aminoethyl)-2-cyclopentyl-1H-pyrimidin-6-one?
The InChIKey is OKBZJCAJQVLEPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c12-6-5-9-7-13-10(14-11(9)15)8-3-1-2-4-8/h7-8H,1-6,12H2,(H,13,14,15).
What are the key properties of 5-(2-aminoethyl)-2-cyclopentyl-1H-pyrimidin-6-one?
5-(2-aminoethyl)-2-cyclopentyl-1H-pyrimidin-6-one has a molecular weight of 207.28 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-2-cyclopentyl-1H-pyrimidin-6-one is sourced from PubChem (CID 83852181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).