5-acetyl-4-(4-cyclopentyloxyphenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one

C18H22N2O3 — CID 2960141

IUPAC5-acetyl-4-(4-cyclopentyloxyphenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
SMILESCC(=O)C1=C(C)NC(=O)NC1c1ccc(OC2CCCC2)cc1
InChIInChI=1S/C18H22N2O3/c1-11-16(12(2)21)17(20-18(22)19-11)13-7-9-15(10-8-13)23-14-5-3-4-6-14/h7-10,14,17H,3-6H2,1-2H3,(H2,19,20,22)
InChIKeyABMSNZAIXIPHSO-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.22
Rot. Bonds4

About 5-acetyl-4-(4-cyclopentyloxyphenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one

5-acetyl-4-(4-cyclopentyloxyphenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one (PubChem CID 2960141) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is 5-acetyl-4-(4-cyclopentyloxyphenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one.

Molecular Properties

Compound Name5-acetyl-4-(4-cyclopentyloxyphenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
PubChem CID2960141
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Name5-acetyl-4-(4-cyclopentyloxyphenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
SMILESCC(=O)C1=C(C)NC(=O)NC1c1ccc(OC2CCCC2)cc1
InChIInChI=1S/C18H22N2O3/c1-11-16(12(2)21)17(20-18(22)19-11)13-7-9-15(10-8-13)23-14-5-3-4-6-14/h7-10,14,17H,3-6H2,1-2H3,(H2,19,20,22)
InChIKeyABMSNZAIXIPHSO-UHFFFAOYSA-N
XLogP3.22
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-4-(4-cyclopentyloxyphenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one?
The IUPAC name of 5-acetyl-4-(4-cyclopentyloxyphenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one (CID 2960141) is 5-acetyl-4-(4-cyclopentyloxyphenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one.
What is the SMILES notation for 5-acetyl-4-(4-cyclopentyloxyphenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one?
The canonical SMILES for 5-acetyl-4-(4-cyclopentyloxyphenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one is CC(=O)C1=C(C)NC(=O)NC1c1ccc(OC2CCCC2)cc1.
What is the InChIKey of 5-acetyl-4-(4-cyclopentyloxyphenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one?
The InChIKey is ABMSNZAIXIPHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-11-16(12(2)21)17(20-18(22)19-11)13-7-9-15(10-8-13)23-14-5-3-4-6-14/h7-10,14,17H,3-6H2,1-2H3,(H2,19,20,22).
What are the key properties of 5-acetyl-4-(4-cyclopentyloxyphenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one?
5-acetyl-4-(4-cyclopentyloxyphenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one has a molecular weight of 314.39 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-4-(4-cyclopentyloxyphenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one is sourced from PubChem (CID 2960141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).