5-cyclopentyl-2-[2-(2-methoxyethoxy)phenyl]-4-methyl-1H-pyrimidin-6-one

C19H24N2O3 — CID 167857998

IUPAC5-cyclopentyl-2-[2-(2-methoxyethoxy)phenyl]-4-methyl-1H-pyrimidin-6-one
SMILESCOCCOc1ccccc1-c1nc(C)c(C2CCCC2)c(=O)[nH]1
InChIInChI=1S/C19H24N2O3/c1-13-17(14-7-3-4-8-14)19(22)21-18(20-13)15-9-5-6-10-16(15)24-12-11-23-2/h5-6,9-10,14H,3-4,7-8,11-12H2,1-2H3,(H,20,21,22)
InChIKeyBMSNEZVIDFAAEM-UHFFFAOYSA-N
MW328.41 g/mol
LogP3.43
Rot. Bonds6

About 5-cyclopentyl-2-[2-(2-methoxyethoxy)phenyl]-4-methyl-1H-pyrimidin-6-one

5-cyclopentyl-2-[2-(2-methoxyethoxy)phenyl]-4-methyl-1H-pyrimidin-6-one (PubChem CID 167857998) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 5-cyclopentyl-2-[2-(2-methoxyethoxy)phenyl]-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-cyclopentyl-2-[2-(2-methoxyethoxy)phenyl]-4-methyl-1H-pyrimidin-6-one
PubChem CID167857998
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name5-cyclopentyl-2-[2-(2-methoxyethoxy)phenyl]-4-methyl-1H-pyrimidin-6-one
SMILESCOCCOc1ccccc1-c1nc(C)c(C2CCCC2)c(=O)[nH]1
InChIInChI=1S/C19H24N2O3/c1-13-17(14-7-3-4-8-14)19(22)21-18(20-13)15-9-5-6-10-16(15)24-12-11-23-2/h5-6,9-10,14H,3-4,7-8,11-12H2,1-2H3,(H,20,21,22)
InChIKeyBMSNEZVIDFAAEM-UHFFFAOYSA-N
XLogP3.43
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-bromo-4-cyclopentyl-2-(2-methoxyphenyl)-1H-pyrimidin-6-one
CID 136729643
2-ethyl-4-[2-(2-methoxyethoxy)phenyl]-5-methyl-1H-pyrimidin-6-one
CID 136770105
1-bromo-3-[2-(2-methoxyethoxy)phenyl]cycloheptane
CID 113438552
4-[2-(2-methoxyethoxy)phenyl]-2-propyl-1H-pyrimidin-6-one
CID 136770100
3-[2-(2-methoxyphenyl)-4-methyl-6-oxo-1H-pyrimidin-5-yl]propanoic acid
CID 135973589
2-cyclopropyl-5-methyl-4-(2-propoxyphenyl)-1H-pyrimidin-6-one
CID 136770122
5-cyclopentyl-2-(4-fluoro-2-methylphenyl)-4-hydroxy-1H-pyrimidin-6-one
CID 115926343
6-(2-propoxyphenyl)-7H-pyrimido[5,4-d]pyrimidin-8-one
CID 135559157
4-cyclopentyl-5-iodo-2-(2-methylphenyl)-1H-pyrimidin-6-one
CID 136729850
2-(2-propoxyphenyl)-3H-pteridin-4-one
CID 135670793
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]benzene
CID 102202030
4-[2-(2-methoxyethoxy)phenyl]-5-propyl-1H-pyrimidin-6-one
CID 136770102

Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-2-[2-(2-methoxyethoxy)phenyl]-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 5-cyclopentyl-2-[2-(2-methoxyethoxy)phenyl]-4-methyl-1H-pyrimidin-6-one (CID 167857998) is 5-cyclopentyl-2-[2-(2-methoxyethoxy)phenyl]-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-cyclopentyl-2-[2-(2-methoxyethoxy)phenyl]-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-cyclopentyl-2-[2-(2-methoxyethoxy)phenyl]-4-methyl-1H-pyrimidin-6-one is COCCOc1ccccc1-c1nc(C)c(C2CCCC2)c(=O)[nH]1.
What is the InChIKey of 5-cyclopentyl-2-[2-(2-methoxyethoxy)phenyl]-4-methyl-1H-pyrimidin-6-one?
The InChIKey is BMSNEZVIDFAAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-13-17(14-7-3-4-8-14)19(22)21-18(20-13)15-9-5-6-10-16(15)24-12-11-23-2/h5-6,9-10,14H,3-4,7-8,11-12H2,1-2H3,(H,20,21,22).
What are the key properties of 5-cyclopentyl-2-[2-(2-methoxyethoxy)phenyl]-4-methyl-1H-pyrimidin-6-one?
5-cyclopentyl-2-[2-(2-methoxyethoxy)phenyl]-4-methyl-1H-pyrimidin-6-one has a molecular weight of 328.41 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-2-[2-(2-methoxyethoxy)phenyl]-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 167857998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).