2-(4-methyl-6-naphthalen-2-yloxypyrimidin-2-yl)sulfanyl-1-phenylethanone

C23H18N2O2S — CID 1207077

IUPAC2-(4-methyl-6-naphthalen-2-yloxypyrimidin-2-yl)sulfanyl-1-phenylethanone
SMILESCc1cc(Oc2ccc3ccccc3c2)nc(SCC(=O)c2ccccc2)n1
InChIInChI=1S/C23H18N2O2S/c1-16-13-22(27-20-12-11-17-7-5-6-10-19(17)14-20)25-23(24-16)28-15-21(26)18-8-3-2-4-9-18/h2-14H,15H2,1H3
InChIKeyKDDXEPFKCPQIAW-UHFFFAOYSA-N
MW386.48 g/mol
LogP5.71
Rot. Bonds6

About 2-(4-methyl-6-naphthalen-2-yloxypyrimidin-2-yl)sulfanyl-1-phenylethanone

2-(4-methyl-6-naphthalen-2-yloxypyrimidin-2-yl)sulfanyl-1-phenylethanone (PubChem CID 1207077) has the molecular formula C23H18N2O2S and a molecular weight of 386.48 g/mol. Its IUPAC name is 2-(4-methyl-6-naphthalen-2-yloxypyrimidin-2-yl)sulfanyl-1-phenylethanone.

Molecular Properties

Compound Name2-(4-methyl-6-naphthalen-2-yloxypyrimidin-2-yl)sulfanyl-1-phenylethanone
PubChem CID1207077
Molecular FormulaC23H18N2O2S
Molecular Weight386.48 g/mol
Exact Mass386.11
IUPAC Name2-(4-methyl-6-naphthalen-2-yloxypyrimidin-2-yl)sulfanyl-1-phenylethanone
SMILESCc1cc(Oc2ccc3ccccc3c2)nc(SCC(=O)c2ccccc2)n1
InChIInChI=1S/C23H18N2O2S/c1-16-13-22(27-20-12-11-17-7-5-6-10-19(17)14-20)25-23(24-16)28-15-21(26)18-8-3-2-4-9-18/h2-14H,15H2,1H3
InChIKeyKDDXEPFKCPQIAW-UHFFFAOYSA-N
XLogP5.71
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.48
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-6-naphthalen-2-yloxypyrimidin-2-yl)sulfanyl-1-phenylethanone?
The IUPAC name of 2-(4-methyl-6-naphthalen-2-yloxypyrimidin-2-yl)sulfanyl-1-phenylethanone (CID 1207077) is 2-(4-methyl-6-naphthalen-2-yloxypyrimidin-2-yl)sulfanyl-1-phenylethanone.
What is the SMILES notation for 2-(4-methyl-6-naphthalen-2-yloxypyrimidin-2-yl)sulfanyl-1-phenylethanone?
The canonical SMILES for 2-(4-methyl-6-naphthalen-2-yloxypyrimidin-2-yl)sulfanyl-1-phenylethanone is Cc1cc(Oc2ccc3ccccc3c2)nc(SCC(=O)c2ccccc2)n1.
What is the InChIKey of 2-(4-methyl-6-naphthalen-2-yloxypyrimidin-2-yl)sulfanyl-1-phenylethanone?
The InChIKey is KDDXEPFKCPQIAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O2S/c1-16-13-22(27-20-12-11-17-7-5-6-10-19(17)14-20)25-23(24-16)28-15-21(26)18-8-3-2-4-9-18/h2-14H,15H2,1H3.
What are the key properties of 2-(4-methyl-6-naphthalen-2-yloxypyrimidin-2-yl)sulfanyl-1-phenylethanone?
2-(4-methyl-6-naphthalen-2-yloxypyrimidin-2-yl)sulfanyl-1-phenylethanone has a molecular weight of 386.48 g/mol, XLogP of 5.71, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-6-naphthalen-2-yloxypyrimidin-2-yl)sulfanyl-1-phenylethanone is sourced from PubChem (CID 1207077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).