2-(5-methylpyrimidin-2-yl)sulfanylquinoline-4-carbonitrile

C15H10N4S — CID 63886063

IUPAC2-(5-methylpyrimidin-2-yl)sulfanylquinoline-4-carbonitrile
SMILESCc1cnc(Sc2cc(C#N)c3ccccc3n2)nc1
InChIInChI=1S/C15H10N4S/c1-10-8-17-15(18-9-10)20-14-6-11(7-16)12-4-2-3-5-13(12)19-14/h2-6,8-9H,1H3
InChIKeyPOIXHLSQTJMHHT-UHFFFAOYSA-N
MW278.34 g/mol
LogP3.36
Rot. Bonds2

About 2-(5-methylpyrimidin-2-yl)sulfanylquinoline-4-carbonitrile

2-(5-methylpyrimidin-2-yl)sulfanylquinoline-4-carbonitrile (PubChem CID 63886063) has the molecular formula C15H10N4S and a molecular weight of 278.34 g/mol. Its IUPAC name is 2-(5-methylpyrimidin-2-yl)sulfanylquinoline-4-carbonitrile.

Molecular Properties

Compound Name2-(5-methylpyrimidin-2-yl)sulfanylquinoline-4-carbonitrile
PubChem CID63886063
Molecular FormulaC15H10N4S
Molecular Weight278.34 g/mol
Exact Mass278.06
IUPAC Name2-(5-methylpyrimidin-2-yl)sulfanylquinoline-4-carbonitrile
SMILESCc1cnc(Sc2cc(C#N)c3ccccc3n2)nc1
InChIInChI=1S/C15H10N4S/c1-10-8-17-15(18-9-10)20-14-6-11(7-16)12-4-2-3-5-13(12)19-14/h2-6,8-9H,1H3
InChIKeyPOIXHLSQTJMHHT-UHFFFAOYSA-N
XLogP3.36
TPSA62.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methylpyrimidin-2-yl)sulfanylquinoline-4-carbonitrile?
The IUPAC name of 2-(5-methylpyrimidin-2-yl)sulfanylquinoline-4-carbonitrile (CID 63886063) is 2-(5-methylpyrimidin-2-yl)sulfanylquinoline-4-carbonitrile.
What is the SMILES notation for 2-(5-methylpyrimidin-2-yl)sulfanylquinoline-4-carbonitrile?
The canonical SMILES for 2-(5-methylpyrimidin-2-yl)sulfanylquinoline-4-carbonitrile is Cc1cnc(Sc2cc(C#N)c3ccccc3n2)nc1.
What is the InChIKey of 2-(5-methylpyrimidin-2-yl)sulfanylquinoline-4-carbonitrile?
The InChIKey is POIXHLSQTJMHHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4S/c1-10-8-17-15(18-9-10)20-14-6-11(7-16)12-4-2-3-5-13(12)19-14/h2-6,8-9H,1H3.
What are the key properties of 2-(5-methylpyrimidin-2-yl)sulfanylquinoline-4-carbonitrile?
2-(5-methylpyrimidin-2-yl)sulfanylquinoline-4-carbonitrile has a molecular weight of 278.34 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylpyrimidin-2-yl)sulfanylquinoline-4-carbonitrile is sourced from PubChem (CID 63886063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).