4-cyclopentyl-2-(1-ethoxyethyl)-1H-pyrimidin-6-one

C13H20N2O2 — CID 136729507

IUPAC4-cyclopentyl-2-(1-ethoxyethyl)-1H-pyrimidin-6-one
SMILESCCOC(C)c1nc(C2CCCC2)cc(=O)[nH]1
InChIInChI=1S/C13H20N2O2/c1-3-17-9(2)13-14-11(8-12(16)15-13)10-6-4-5-7-10/h8-10H,3-7H2,1-2H3,(H,14,15,16)
InChIKeyVZGLEIGKLRJMJQ-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.53
Rot. Bonds4

About 4-cyclopentyl-2-(1-ethoxyethyl)-1H-pyrimidin-6-one

4-cyclopentyl-2-(1-ethoxyethyl)-1H-pyrimidin-6-one (PubChem CID 136729507) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 4-cyclopentyl-2-(1-ethoxyethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-cyclopentyl-2-(1-ethoxyethyl)-1H-pyrimidin-6-one
PubChem CID136729507
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name4-cyclopentyl-2-(1-ethoxyethyl)-1H-pyrimidin-6-one
SMILESCCOC(C)c1nc(C2CCCC2)cc(=O)[nH]1
InChIInChI=1S/C13H20N2O2/c1-3-17-9(2)13-14-11(8-12(16)15-13)10-6-4-5-7-10/h8-10H,3-7H2,1-2H3,(H,14,15,16)
InChIKeyVZGLEIGKLRJMJQ-UHFFFAOYSA-N
XLogP2.53
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyclopentyl-2-[2-(2,2-difluoroethoxy)ethyl]-1H-pyrimidin-6-one
CID 136842479
4-cyclopentyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidin-6-one
CID 136842480
4-cyclopentyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidin-6-one
CID 136890461
4-cyclopentyl-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one
CID 136890462
2-cyclopentyl-6-ethylpyrimidin-4(3H)-one
CID 136085107
6-cyclopentyl-2-(1-ethoxyethyl)-1H-pyrimidine-4-thione
CID 106481884
6-cyclopentyl-2-(1-ethoxy-2-methylpropyl)-1H-pyrimidine-4-thione
CID 106482000
6-cyclopentyl-2-(1-ethoxypropyl)-1H-pyrimidine-4-thione
CID 113839862
2-cyclopentyl-4-propyl-1H-pyrimidin-6-one
CID 136085105
2-cyclopentyl-4-propan-2-yl-1H-pyrimidin-6-one
CID 136085108
2-(3-methylcyclopentyl)-4-propyl-1H-pyrimidin-6-one
CID 136239613
2-(oxolan-2-yl)-4-propyl-1H-pyrimidin-6-one
CID 136274221

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-2-(1-ethoxyethyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-cyclopentyl-2-(1-ethoxyethyl)-1H-pyrimidin-6-one (CID 136729507) is 4-cyclopentyl-2-(1-ethoxyethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-cyclopentyl-2-(1-ethoxyethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-cyclopentyl-2-(1-ethoxyethyl)-1H-pyrimidin-6-one is CCOC(C)c1nc(C2CCCC2)cc(=O)[nH]1.
What is the InChIKey of 4-cyclopentyl-2-(1-ethoxyethyl)-1H-pyrimidin-6-one?
The InChIKey is VZGLEIGKLRJMJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-3-17-9(2)13-14-11(8-12(16)15-13)10-6-4-5-7-10/h8-10H,3-7H2,1-2H3,(H,14,15,16).
What are the key properties of 4-cyclopentyl-2-(1-ethoxyethyl)-1H-pyrimidin-6-one?
4-cyclopentyl-2-(1-ethoxyethyl)-1H-pyrimidin-6-one has a molecular weight of 236.31 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-2-(1-ethoxyethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136729507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).