5-amino-2-(4-methylpyrimidin-2-yl)sulfanylpyridine-3-carbonitrile

C11H9N5S — CID 55053717

IUPAC5-amino-2-(4-methylpyrimidin-2-yl)sulfanylpyridine-3-carbonitrile
SMILESCc1ccnc(Sc2ncc(N)cc2C#N)n1
InChIInChI=1S/C11H9N5S/c1-7-2-3-14-11(16-7)17-10-8(5-12)4-9(13)6-15-10/h2-4,6H,13H2,1H3
InChIKeyTUNTVEZSZBYVQQ-UHFFFAOYSA-N
MW243.30 g/mol
LogP1.79
Rot. Bonds2

About 5-amino-2-(4-methylpyrimidin-2-yl)sulfanylpyridine-3-carbonitrile

5-amino-2-(4-methylpyrimidin-2-yl)sulfanylpyridine-3-carbonitrile (PubChem CID 55053717) has the molecular formula C11H9N5S and a molecular weight of 243.30 g/mol. Its IUPAC name is 5-amino-2-(4-methylpyrimidin-2-yl)sulfanylpyridine-3-carbonitrile.

Molecular Properties

Compound Name5-amino-2-(4-methylpyrimidin-2-yl)sulfanylpyridine-3-carbonitrile
PubChem CID55053717
Molecular FormulaC11H9N5S
Molecular Weight243.30 g/mol
Exact Mass243.06
IUPAC Name5-amino-2-(4-methylpyrimidin-2-yl)sulfanylpyridine-3-carbonitrile
SMILESCc1ccnc(Sc2ncc(N)cc2C#N)n1
InChIInChI=1S/C11H9N5S/c1-7-2-3-14-11(16-7)17-10-8(5-12)4-9(13)6-15-10/h2-4,6H,13H2,1H3
InChIKeyTUNTVEZSZBYVQQ-UHFFFAOYSA-N
XLogP1.79
TPSA88.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(4-methylpyrimidin-2-yl)sulfanylpyridine-3-carbonitrile?
The IUPAC name of 5-amino-2-(4-methylpyrimidin-2-yl)sulfanylpyridine-3-carbonitrile (CID 55053717) is 5-amino-2-(4-methylpyrimidin-2-yl)sulfanylpyridine-3-carbonitrile.
What is the SMILES notation for 5-amino-2-(4-methylpyrimidin-2-yl)sulfanylpyridine-3-carbonitrile?
The canonical SMILES for 5-amino-2-(4-methylpyrimidin-2-yl)sulfanylpyridine-3-carbonitrile is Cc1ccnc(Sc2ncc(N)cc2C#N)n1.
What is the InChIKey of 5-amino-2-(4-methylpyrimidin-2-yl)sulfanylpyridine-3-carbonitrile?
The InChIKey is TUNTVEZSZBYVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5S/c1-7-2-3-14-11(16-7)17-10-8(5-12)4-9(13)6-15-10/h2-4,6H,13H2,1H3.
What are the key properties of 5-amino-2-(4-methylpyrimidin-2-yl)sulfanylpyridine-3-carbonitrile?
5-amino-2-(4-methylpyrimidin-2-yl)sulfanylpyridine-3-carbonitrile has a molecular weight of 243.30 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(4-methylpyrimidin-2-yl)sulfanylpyridine-3-carbonitrile is sourced from PubChem (CID 55053717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).