4-(4-methylpyrimidin-2-yl)sulfanylnaphthalen-1-ol

C15H12N2OS — CID 112596177

IUPAC4-(4-methylpyrimidin-2-yl)sulfanylnaphthalen-1-ol
SMILESCc1ccnc(Sc2ccc(O)c3ccccc23)n1
InChIInChI=1S/C15H12N2OS/c1-10-8-9-16-15(17-10)19-14-7-6-13(18)11-4-2-3-5-12(11)14/h2-9,18H,1H3
InChIKeyIMDSRACWFMPWKG-UHFFFAOYSA-N
MW268.34 g/mol
LogP3.80
Rot. Bonds2

About 4-(4-methylpyrimidin-2-yl)sulfanylnaphthalen-1-ol

4-(4-methylpyrimidin-2-yl)sulfanylnaphthalen-1-ol (PubChem CID 112596177) has the molecular formula C15H12N2OS and a molecular weight of 268.34 g/mol. Its IUPAC name is 4-(4-methylpyrimidin-2-yl)sulfanylnaphthalen-1-ol.

Molecular Properties

Compound Name4-(4-methylpyrimidin-2-yl)sulfanylnaphthalen-1-ol
PubChem CID112596177
Molecular FormulaC15H12N2OS
Molecular Weight268.34 g/mol
Exact Mass268.07
IUPAC Name4-(4-methylpyrimidin-2-yl)sulfanylnaphthalen-1-ol
SMILESCc1ccnc(Sc2ccc(O)c3ccccc23)n1
InChIInChI=1S/C15H12N2OS/c1-10-8-9-16-15(17-10)19-14-7-6-13(18)11-4-2-3-5-12(11)14/h2-9,18H,1H3
InChIKeyIMDSRACWFMPWKG-UHFFFAOYSA-N
XLogP3.80
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpyrimidin-2-yl)sulfanylnaphthalen-1-ol?
The IUPAC name of 4-(4-methylpyrimidin-2-yl)sulfanylnaphthalen-1-ol (CID 112596177) is 4-(4-methylpyrimidin-2-yl)sulfanylnaphthalen-1-ol.
What is the SMILES notation for 4-(4-methylpyrimidin-2-yl)sulfanylnaphthalen-1-ol?
The canonical SMILES for 4-(4-methylpyrimidin-2-yl)sulfanylnaphthalen-1-ol is Cc1ccnc(Sc2ccc(O)c3ccccc23)n1.
What is the InChIKey of 4-(4-methylpyrimidin-2-yl)sulfanylnaphthalen-1-ol?
The InChIKey is IMDSRACWFMPWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2OS/c1-10-8-9-16-15(17-10)19-14-7-6-13(18)11-4-2-3-5-12(11)14/h2-9,18H,1H3.
What are the key properties of 4-(4-methylpyrimidin-2-yl)sulfanylnaphthalen-1-ol?
4-(4-methylpyrimidin-2-yl)sulfanylnaphthalen-1-ol has a molecular weight of 268.34 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpyrimidin-2-yl)sulfanylnaphthalen-1-ol is sourced from PubChem (CID 112596177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).