5-methyl-4-(naphthalen-1-ylmethyl)-2-thiophen-2-ylsulfanyl-1H-pyrimidin-6-one

C20H16N2OS2 — CID 135924035

IUPAC5-methyl-4-(naphthalen-1-ylmethyl)-2-thiophen-2-ylsulfanyl-1H-pyrimidin-6-one
SMILESCc1c(Cc2cccc3ccccc23)nc(Sc2cccs2)[nH]c1=O
InChIInChI=1S/C20H16N2OS2/c1-13-17(12-15-8-4-7-14-6-2-3-9-16(14)15)21-20(22-19(13)23)25-18-10-5-11-24-18/h2-11H,12H2,1H3,(H,21,22,23)
InChIKeyRJWIELNYDSIEGQ-UHFFFAOYSA-N
MW364.50 g/mol
LogP5.04
Rot. Bonds4

About 5-methyl-4-(naphthalen-1-ylmethyl)-2-thiophen-2-ylsulfanyl-1H-pyrimidin-6-one

5-methyl-4-(naphthalen-1-ylmethyl)-2-thiophen-2-ylsulfanyl-1H-pyrimidin-6-one (PubChem CID 135924035) has the molecular formula C20H16N2OS2 and a molecular weight of 364.50 g/mol. Its IUPAC name is 5-methyl-4-(naphthalen-1-ylmethyl)-2-thiophen-2-ylsulfanyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methyl-4-(naphthalen-1-ylmethyl)-2-thiophen-2-ylsulfanyl-1H-pyrimidin-6-one
PubChem CID135924035
Molecular FormulaC20H16N2OS2
Molecular Weight364.50 g/mol
Exact Mass364.07
IUPAC Name5-methyl-4-(naphthalen-1-ylmethyl)-2-thiophen-2-ylsulfanyl-1H-pyrimidin-6-one
SMILESCc1c(Cc2cccc3ccccc23)nc(Sc2cccs2)[nH]c1=O
InChIInChI=1S/C20H16N2OS2/c1-13-17(12-15-8-4-7-14-6-2-3-9-16(14)15)21-20(22-19(13)23)25-18-10-5-11-24-18/h2-11H,12H2,1H3,(H,21,22,23)
InChIKeyRJWIELNYDSIEGQ-UHFFFAOYSA-N
XLogP5.04
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.50
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1-naphthylmethyl)-2-sec-butylsulfanyl-1H-pyrimidin-6-one
CID 135402797
4-benzyl-5-methyl-2-(naphthalen-2-ylmethylsulfanyl)-1H-pyrimidin-6-one
CID 136086747
5-methyl-4-(1-naphthylmethyl)-2-sec-butylsulfanyl-1H-pyrimidin-6-one
CID 135402799
2-acetonylsulfanyl-5-isopropyl-4-(1-naphthylmethyl)-1H-pyrimidin-6-one
CID 135446862
2-(2-cyclopentylsulfanyl-5-methyl-6-oxo-1H-pyrimidin-4-yl)-2-(1-naphthyl)acetonitrile
CID 135510291
2-cyclopentylsulfanyl-5-methyl-4-(1-naphthylmethyl)-1H-pyrimidin-6-one
CID 135402800
5-methyl-4-(2-naphthylmethyl)-2-sec-butylsulfanyl-1H-pyrimidin-6-one
CID 135402803
2-(1-methylbutylsulfanyl)-4-(1-naphthylmethyl)-1H-pyrimidin-6-one
CID 135439566
2-acetonylsulfanyl-5-methyl-4-(1-naphthylmethyl)-1H-pyrimidin-6-one
CID 135446850
2-(1-ethylpropylsulfanyl)-4-(1-naphthylmethyl)-1H-pyrimidin-6-one
CID 135499679
2-cyclohexylsulfanyl-5-methyl-4-(1-naphthylmethyl)-1H-pyrimidin-6-one
CID 135499680
2-cyclopentylsulfanyl-5-methyl-4-(2-naphthylmethyl)-1H-pyrimidin-6-one
CID 135499681

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(naphthalen-1-ylmethyl)-2-thiophen-2-ylsulfanyl-1H-pyrimidin-6-one?
The IUPAC name of 5-methyl-4-(naphthalen-1-ylmethyl)-2-thiophen-2-ylsulfanyl-1H-pyrimidin-6-one (CID 135924035) is 5-methyl-4-(naphthalen-1-ylmethyl)-2-thiophen-2-ylsulfanyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methyl-4-(naphthalen-1-ylmethyl)-2-thiophen-2-ylsulfanyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-methyl-4-(naphthalen-1-ylmethyl)-2-thiophen-2-ylsulfanyl-1H-pyrimidin-6-one is Cc1c(Cc2cccc3ccccc23)nc(Sc2cccs2)[nH]c1=O.
What is the InChIKey of 5-methyl-4-(naphthalen-1-ylmethyl)-2-thiophen-2-ylsulfanyl-1H-pyrimidin-6-one?
The InChIKey is RJWIELNYDSIEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2OS2/c1-13-17(12-15-8-4-7-14-6-2-3-9-16(14)15)21-20(22-19(13)23)25-18-10-5-11-24-18/h2-11H,12H2,1H3,(H,21,22,23).
What are the key properties of 5-methyl-4-(naphthalen-1-ylmethyl)-2-thiophen-2-ylsulfanyl-1H-pyrimidin-6-one?
5-methyl-4-(naphthalen-1-ylmethyl)-2-thiophen-2-ylsulfanyl-1H-pyrimidin-6-one has a molecular weight of 364.50 g/mol, XLogP of 5.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(naphthalen-1-ylmethyl)-2-thiophen-2-ylsulfanyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135924035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).