2-[(1-naphthalen-2-ylcyclopentyl)methyl]-5-phenylmethoxy-1H-pyrimidin-6-one

C27H26N2O2 — CID 141405043

IUPAC2-[(1-naphthalen-2-ylcyclopentyl)methyl]-5-phenylmethoxy-1H-pyrimidin-6-one
SMILESO=c1[nH]c(CC2(c3ccc4ccccc4c3)CCCC2)ncc1OCc1ccccc1
InChIInChI=1S/C27H26N2O2/c30-26-24(31-19-20-8-2-1-3-9-20)18-28-25(29-26)17-27(14-6-7-15-27)23-13-12-21-10-4-5-11-22(21)16-23/h1-5,8-13,16,18H,6-7,14-15,17,19H2,(H,28,29,30)
InChIKeyIRYDQTBAFIFZEI-UHFFFAOYSA-N
MW410.52 g/mol
LogP5.56
Rot. Bonds6

About 2-[(1-naphthalen-2-ylcyclopentyl)methyl]-5-phenylmethoxy-1H-pyrimidin-6-one

2-[(1-naphthalen-2-ylcyclopentyl)methyl]-5-phenylmethoxy-1H-pyrimidin-6-one (PubChem CID 141405043) has the molecular formula C27H26N2O2 and a molecular weight of 410.52 g/mol. Its IUPAC name is 2-[(1-naphthalen-2-ylcyclopentyl)methyl]-5-phenylmethoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(1-naphthalen-2-ylcyclopentyl)methyl]-5-phenylmethoxy-1H-pyrimidin-6-one
PubChem CID141405043
Molecular FormulaC27H26N2O2
Molecular Weight410.52 g/mol
Exact Mass410.20
IUPAC Name2-[(1-naphthalen-2-ylcyclopentyl)methyl]-5-phenylmethoxy-1H-pyrimidin-6-one
SMILESO=c1[nH]c(CC2(c3ccc4ccccc4c3)CCCC2)ncc1OCc1ccccc1
InChIInChI=1S/C27H26N2O2/c30-26-24(31-19-20-8-2-1-3-9-20)18-28-25(29-26)17-27(14-6-7-15-27)23-13-12-21-10-4-5-11-22(21)16-23/h1-5,8-13,16,18H,6-7,14-15,17,19H2,(H,28,29,30)
InChIKeyIRYDQTBAFIFZEI-UHFFFAOYSA-N
XLogP5.56
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.52
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-oxo-2-[(1-phenylcyclopentyl)methyl]-5-phenylmethoxy-1H-pyrimidine-4-carboxylic acid
CID 136509186
6-[(1-naphthalen-2-ylcyclopentyl)methyl]-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione
CID 86725917
[1-(3-fluoro-4-phenylmethoxyphenyl)cyclohexyl]methanamine
CID 117498798
[1-(3-phenylmethoxyphenyl)cyclopentyl]methanamine
CID 117451817
2-(2-fluoro-5-methylphenyl)-5-phenylmethoxy-1H-pyrimidin-6-one
CID 142874278
N-cyclopropyl-N-(2-hydroxyethyl)-6-oxo-5-phenylmethoxy-2-[(1-pyridin-2-ylcyclopentyl)methyl]-1H-pyrimidine-4-carboxamide
CID 136509176
N-methyl-1-(1-naphthalen-2-ylcyclobutyl)methanamine
CID 116963684
1-(1-naphthalen-2-ylcyclopentyl)oxycarbonylcyclopentane-1-carboxylic acid
CID 170443114
1,2-bis(phenylmethoxy)naphthalene
CID 67710722
tert-butyl formate;2-[[6-(4-tert-butylphenyl)-3-pyridinyl]methyl]-5-phenylmethoxy-1H-pyrimidin-6-one
CID 174627825
tert-butyl formate;2-[[5-(4-tert-butylphenyl)-2-pyridinyl]methyl]-5-phenylmethoxy-1H-pyrimidin-6-one
CID 174613538
5-chloro-3-phenylmethoxy-1H-pyridin-2-one
CID 70036977

Frequently Asked Questions

What is the IUPAC name of 2-[(1-naphthalen-2-ylcyclopentyl)methyl]-5-phenylmethoxy-1H-pyrimidin-6-one?
The IUPAC name of 2-[(1-naphthalen-2-ylcyclopentyl)methyl]-5-phenylmethoxy-1H-pyrimidin-6-one (CID 141405043) is 2-[(1-naphthalen-2-ylcyclopentyl)methyl]-5-phenylmethoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(1-naphthalen-2-ylcyclopentyl)methyl]-5-phenylmethoxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(1-naphthalen-2-ylcyclopentyl)methyl]-5-phenylmethoxy-1H-pyrimidin-6-one is O=c1[nH]c(CC2(c3ccc4ccccc4c3)CCCC2)ncc1OCc1ccccc1.
What is the InChIKey of 2-[(1-naphthalen-2-ylcyclopentyl)methyl]-5-phenylmethoxy-1H-pyrimidin-6-one?
The InChIKey is IRYDQTBAFIFZEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O2/c30-26-24(31-19-20-8-2-1-3-9-20)18-28-25(29-26)17-27(14-6-7-15-27)23-13-12-21-10-4-5-11-22(21)16-23/h1-5,8-13,16,18H,6-7,14-15,17,19H2,(H,28,29,30).
What are the key properties of 2-[(1-naphthalen-2-ylcyclopentyl)methyl]-5-phenylmethoxy-1H-pyrimidin-6-one?
2-[(1-naphthalen-2-ylcyclopentyl)methyl]-5-phenylmethoxy-1H-pyrimidin-6-one has a molecular weight of 410.52 g/mol, XLogP of 5.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-naphthalen-2-ylcyclopentyl)methyl]-5-phenylmethoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 141405043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).