2-(1-methoxycyclopentyl)-5-methyl-4-phenyl-1H-pyrimidin-6-one

C17H20N2O2 — CID 136764326

IUPAC2-(1-methoxycyclopentyl)-5-methyl-4-phenyl-1H-pyrimidin-6-one
SMILESCOC1(c2nc(-c3ccccc3)c(C)c(=O)[nH]2)CCCC1
InChIInChI=1S/C17H20N2O2/c1-12-14(13-8-4-3-5-9-13)18-16(19-15(12)20)17(21-2)10-6-7-11-17/h3-5,8-9H,6-7,10-11H2,1-2H3,(H,18,19,20)
InChIKeyKMYUJORSBAWBLN-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.16
Rot. Bonds3

About 2-(1-methoxycyclopentyl)-5-methyl-4-phenyl-1H-pyrimidin-6-one

2-(1-methoxycyclopentyl)-5-methyl-4-phenyl-1H-pyrimidin-6-one (PubChem CID 136764326) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-(1-methoxycyclopentyl)-5-methyl-4-phenyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1-methoxycyclopentyl)-5-methyl-4-phenyl-1H-pyrimidin-6-one
PubChem CID136764326
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name2-(1-methoxycyclopentyl)-5-methyl-4-phenyl-1H-pyrimidin-6-one
SMILESCOC1(c2nc(-c3ccccc3)c(C)c(=O)[nH]2)CCCC1
InChIInChI=1S/C17H20N2O2/c1-12-14(13-8-4-3-5-9-13)18-16(19-15(12)20)17(21-2)10-6-7-11-17/h3-5,8-9H,6-7,10-11H2,1-2H3,(H,18,19,20)
InChIKeyKMYUJORSBAWBLN-UHFFFAOYSA-N
XLogP3.16
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxycyclopentyl)-5-methyl-4-phenyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(1-methoxycyclopentyl)-5-methyl-4-phenyl-1H-pyrimidin-6-one (CID 136764326) is 2-(1-methoxycyclopentyl)-5-methyl-4-phenyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1-methoxycyclopentyl)-5-methyl-4-phenyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1-methoxycyclopentyl)-5-methyl-4-phenyl-1H-pyrimidin-6-one is COC1(c2nc(-c3ccccc3)c(C)c(=O)[nH]2)CCCC1.
What is the InChIKey of 2-(1-methoxycyclopentyl)-5-methyl-4-phenyl-1H-pyrimidin-6-one?
The InChIKey is KMYUJORSBAWBLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-12-14(13-8-4-3-5-9-13)18-16(19-15(12)20)17(21-2)10-6-7-11-17/h3-5,8-9H,6-7,10-11H2,1-2H3,(H,18,19,20).
What are the key properties of 2-(1-methoxycyclopentyl)-5-methyl-4-phenyl-1H-pyrimidin-6-one?
2-(1-methoxycyclopentyl)-5-methyl-4-phenyl-1H-pyrimidin-6-one has a molecular weight of 284.36 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxycyclopentyl)-5-methyl-4-phenyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136764326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).