4-cyclopentyl-2-(3-ethoxypentan-3-yl)-1H-pyrimidin-6-one

C16H26N2O2 — CID 136964169

IUPAC4-cyclopentyl-2-(3-ethoxypentan-3-yl)-1H-pyrimidin-6-one
SMILESCCOC(CC)(CC)c1nc(C2CCCC2)cc(=O)[nH]1
InChIInChI=1S/C16H26N2O2/c1-4-16(5-2,20-6-3)15-17-13(11-14(19)18-15)12-9-7-8-10-12/h11-12H,4-10H2,1-3H3,(H,17,18,19)
InChIKeyNIMQMYAEDKOSQI-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.48
Rot. Bonds6

About 4-cyclopentyl-2-(3-ethoxypentan-3-yl)-1H-pyrimidin-6-one

4-cyclopentyl-2-(3-ethoxypentan-3-yl)-1H-pyrimidin-6-one (PubChem CID 136964169) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 4-cyclopentyl-2-(3-ethoxypentan-3-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-cyclopentyl-2-(3-ethoxypentan-3-yl)-1H-pyrimidin-6-one
PubChem CID136964169
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name4-cyclopentyl-2-(3-ethoxypentan-3-yl)-1H-pyrimidin-6-one
SMILESCCOC(CC)(CC)c1nc(C2CCCC2)cc(=O)[nH]1
InChIInChI=1S/C16H26N2O2/c1-4-16(5-2,20-6-3)15-17-13(11-14(19)18-15)12-9-7-8-10-12/h11-12H,4-10H2,1-3H3,(H,17,18,19)
InChIKeyNIMQMYAEDKOSQI-UHFFFAOYSA-N
XLogP3.48
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-2-(3-ethoxypentan-3-yl)-1H-pyrimidin-6-one?
The IUPAC name of 4-cyclopentyl-2-(3-ethoxypentan-3-yl)-1H-pyrimidin-6-one (CID 136964169) is 4-cyclopentyl-2-(3-ethoxypentan-3-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-cyclopentyl-2-(3-ethoxypentan-3-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-cyclopentyl-2-(3-ethoxypentan-3-yl)-1H-pyrimidin-6-one is CCOC(CC)(CC)c1nc(C2CCCC2)cc(=O)[nH]1.
What is the InChIKey of 4-cyclopentyl-2-(3-ethoxypentan-3-yl)-1H-pyrimidin-6-one?
The InChIKey is NIMQMYAEDKOSQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-4-16(5-2,20-6-3)15-17-13(11-14(19)18-15)12-9-7-8-10-12/h11-12H,4-10H2,1-3H3,(H,17,18,19).
What are the key properties of 4-cyclopentyl-2-(3-ethoxypentan-3-yl)-1H-pyrimidin-6-one?
4-cyclopentyl-2-(3-ethoxypentan-3-yl)-1H-pyrimidin-6-one has a molecular weight of 278.40 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-2-(3-ethoxypentan-3-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136964169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).