2-cyclohexylsulfanyl-4-(1-naphthalen-1-ylpropyl)-1H-pyrimidin-6-one

C23H26N2OS — CID 135402748

IUPAC2-cyclohexylsulfanyl-4-(1-naphthalen-1-ylpropyl)-1H-pyrimidin-6-one
SMILESCCC(c1cc(=O)[nH]c(SC2CCCCC2)n1)c1cccc2ccccc12
InChIInChI=1S/C23H26N2OS/c1-2-18(20-14-8-10-16-9-6-7-13-19(16)20)21-15-22(26)25-23(24-21)27-17-11-4-3-5-12-17/h6-10,13-15,17-18H,2-5,11-12H2,1H3,(H,24,25,26)
InChIKeySUTXCEIOZRQIKX-UHFFFAOYSA-N
MW378.54 g/mol
LogP5.89
Rot. Bonds5

About 2-cyclohexylsulfanyl-4-(1-naphthalen-1-ylpropyl)-1H-pyrimidin-6-one

2-cyclohexylsulfanyl-4-(1-naphthalen-1-ylpropyl)-1H-pyrimidin-6-one (PubChem CID 135402748) has the molecular formula C23H26N2OS and a molecular weight of 378.54 g/mol. Its IUPAC name is 2-cyclohexylsulfanyl-4-(1-naphthalen-1-ylpropyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclohexylsulfanyl-4-(1-naphthalen-1-ylpropyl)-1H-pyrimidin-6-one
PubChem CID135402748
Molecular FormulaC23H26N2OS
Molecular Weight378.54 g/mol
Exact Mass378.18
IUPAC Name2-cyclohexylsulfanyl-4-(1-naphthalen-1-ylpropyl)-1H-pyrimidin-6-one
SMILESCCC(c1cc(=O)[nH]c(SC2CCCCC2)n1)c1cccc2ccccc12
InChIInChI=1S/C23H26N2OS/c1-2-18(20-14-8-10-16-9-6-7-13-19(16)20)21-15-22(26)25-23(24-21)27-17-11-4-3-5-12-17/h6-10,13-15,17-18H,2-5,11-12H2,1H3,(H,24,25,26)
InChIKeySUTXCEIOZRQIKX-UHFFFAOYSA-N
XLogP5.89
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.54
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-naphthylmethyl)-2-sec-butylsulfanyl-1H-pyrimidin-6-one
CID 135402797
6-Benzyl-2-(cyclohexylsulfanyl)-3,4-dihydropyrimidin-4-one
CID 135402808
2-(Cyclohexylsulfanyl)-6-[1-(naphthalen-1-yl)ethyl]-3,4-dihydropyrimidin-4-one
CID 135402737
2-cyclopentylsulfanyl-4-(1-phenylpropyl)-1H-pyrimidin-6-one
CID 135402745
2-(Butan-2-ylsulfanyl)-6-[(3-methylphenyl)methyl]-3,4-dihydropyrimidin-4-one
CID 135402812
6-Benzyl-2-(benzylthio)-5-methylpyrimidin-4(3H)-one
CID 135924204
6-Benzyl-5-methyl-2-(3-methylbenzylthio)pyrimidin-4(3H)-one
CID 135924223
6-Benzyl-5-methyl-2-(3-phenylpropylthio)pyrimidin-4(3H)-one
CID 135924224
6-Benzyl-5-methyl-2-(benzylthio)pyrimidin-4(3H)-one
CID 136086741
6-Benzyl-5-methyl-2-(2-methylbenzylthio)pyrimidin-4(3H)-one
CID 136086743
4-benzyl-5-methyl-2-(naphthalen-2-ylmethylsulfanyl)-1H-pyrimidin-6-one
CID 136086747
6-Benzyl-5-methyl-2-(1-phenylethylthio)pyrimidin-4(3H)-one
CID 136086748

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylsulfanyl-4-(1-naphthalen-1-ylpropyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclohexylsulfanyl-4-(1-naphthalen-1-ylpropyl)-1H-pyrimidin-6-one (CID 135402748) is 2-cyclohexylsulfanyl-4-(1-naphthalen-1-ylpropyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclohexylsulfanyl-4-(1-naphthalen-1-ylpropyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclohexylsulfanyl-4-(1-naphthalen-1-ylpropyl)-1H-pyrimidin-6-one is CCC(c1cc(=O)[nH]c(SC2CCCCC2)n1)c1cccc2ccccc12.
What is the InChIKey of 2-cyclohexylsulfanyl-4-(1-naphthalen-1-ylpropyl)-1H-pyrimidin-6-one?
The InChIKey is SUTXCEIOZRQIKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2OS/c1-2-18(20-14-8-10-16-9-6-7-13-19(16)20)21-15-22(26)25-23(24-21)27-17-11-4-3-5-12-17/h6-10,13-15,17-18H,2-5,11-12H2,1H3,(H,24,25,26).
What are the key properties of 2-cyclohexylsulfanyl-4-(1-naphthalen-1-ylpropyl)-1H-pyrimidin-6-one?
2-cyclohexylsulfanyl-4-(1-naphthalen-1-ylpropyl)-1H-pyrimidin-6-one has a molecular weight of 378.54 g/mol, XLogP of 5.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylsulfanyl-4-(1-naphthalen-1-ylpropyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135402748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).