4-(2-cyclopentylethylamino)-2-ethyl-1H-pyrimidin-6-one

C13H21N3O — CID 136974192

IUPAC4-(2-cyclopentylethylamino)-2-ethyl-1H-pyrimidin-6-one
SMILESCCc1nc(NCCC2CCCC2)cc(=O)[nH]1
InChIInChI=1S/C13H21N3O/c1-2-11-15-12(9-13(17)16-11)14-8-7-10-5-3-4-6-10/h9-10H,2-8H2,1H3,(H2,14,15,16,17)
InChIKeyDXNVFXCIKBRGGN-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.32
Rot. Bonds5

About 4-(2-cyclopentylethylamino)-2-ethyl-1H-pyrimidin-6-one

4-(2-cyclopentylethylamino)-2-ethyl-1H-pyrimidin-6-one (PubChem CID 136974192) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-(2-cyclopentylethylamino)-2-ethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-cyclopentylethylamino)-2-ethyl-1H-pyrimidin-6-one
PubChem CID136974192
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name4-(2-cyclopentylethylamino)-2-ethyl-1H-pyrimidin-6-one
SMILESCCc1nc(NCCC2CCCC2)cc(=O)[nH]1
InChIInChI=1S/C13H21N3O/c1-2-11-15-12(9-13(17)16-11)14-8-7-10-5-3-4-6-10/h9-10H,2-8H2,1H3,(H2,14,15,16,17)
InChIKeyDXNVFXCIKBRGGN-UHFFFAOYSA-N
XLogP2.32
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclopentylethylamino)-2-ethyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-cyclopentylethylamino)-2-ethyl-1H-pyrimidin-6-one (CID 136974192) is 4-(2-cyclopentylethylamino)-2-ethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-cyclopentylethylamino)-2-ethyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-cyclopentylethylamino)-2-ethyl-1H-pyrimidin-6-one is CCc1nc(NCCC2CCCC2)cc(=O)[nH]1.
What is the InChIKey of 4-(2-cyclopentylethylamino)-2-ethyl-1H-pyrimidin-6-one?
The InChIKey is DXNVFXCIKBRGGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-2-11-15-12(9-13(17)16-11)14-8-7-10-5-3-4-6-10/h9-10H,2-8H2,1H3,(H2,14,15,16,17).
What are the key properties of 4-(2-cyclopentylethylamino)-2-ethyl-1H-pyrimidin-6-one?
4-(2-cyclopentylethylamino)-2-ethyl-1H-pyrimidin-6-one has a molecular weight of 235.33 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclopentylethylamino)-2-ethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136974192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).