4-(4,6-diaminopyrimidin-2-yl)sulfanylpyridine-2-carbonitrile

C10H8N6S — CID 55156681

IUPAC4-(4,6-diaminopyrimidin-2-yl)sulfanylpyridine-2-carbonitrile
SMILESN#Cc1cc(Sc2nc(N)cc(N)n2)ccn1
InChIInChI=1S/C10H8N6S/c11-5-6-3-7(1-2-14-6)17-10-15-8(12)4-9(13)16-10/h1-4H,(H4,12,13,15,16)
InChIKeyWVKMMZFGLQATKI-UHFFFAOYSA-N
MW244.28 g/mol
LogP1.06
Rot. Bonds2

About 4-(4,6-diaminopyrimidin-2-yl)sulfanylpyridine-2-carbonitrile

4-(4,6-diaminopyrimidin-2-yl)sulfanylpyridine-2-carbonitrile (PubChem CID 55156681) has the molecular formula C10H8N6S and a molecular weight of 244.28 g/mol. Its IUPAC name is 4-(4,6-diaminopyrimidin-2-yl)sulfanylpyridine-2-carbonitrile.

Molecular Properties

Compound Name4-(4,6-diaminopyrimidin-2-yl)sulfanylpyridine-2-carbonitrile
PubChem CID55156681
Molecular FormulaC10H8N6S
Molecular Weight244.28 g/mol
Exact Mass244.05
IUPAC Name4-(4,6-diaminopyrimidin-2-yl)sulfanylpyridine-2-carbonitrile
SMILESN#Cc1cc(Sc2nc(N)cc(N)n2)ccn1
InChIInChI=1S/C10H8N6S/c11-5-6-3-7(1-2-14-6)17-10-15-8(12)4-9(13)16-10/h1-4H,(H4,12,13,15,16)
InChIKeyWVKMMZFGLQATKI-UHFFFAOYSA-N
XLogP1.06
TPSA114.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.28
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(4,6-diaminopyrimidin-2-yl)sulfanylpyridine-2-carbonitrile?
The IUPAC name of 4-(4,6-diaminopyrimidin-2-yl)sulfanylpyridine-2-carbonitrile (CID 55156681) is 4-(4,6-diaminopyrimidin-2-yl)sulfanylpyridine-2-carbonitrile.
What is the SMILES notation for 4-(4,6-diaminopyrimidin-2-yl)sulfanylpyridine-2-carbonitrile?
The canonical SMILES for 4-(4,6-diaminopyrimidin-2-yl)sulfanylpyridine-2-carbonitrile is N#Cc1cc(Sc2nc(N)cc(N)n2)ccn1.
What is the InChIKey of 4-(4,6-diaminopyrimidin-2-yl)sulfanylpyridine-2-carbonitrile?
The InChIKey is WVKMMZFGLQATKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N6S/c11-5-6-3-7(1-2-14-6)17-10-15-8(12)4-9(13)16-10/h1-4H,(H4,12,13,15,16).
What are the key properties of 4-(4,6-diaminopyrimidin-2-yl)sulfanylpyridine-2-carbonitrile?
4-(4,6-diaminopyrimidin-2-yl)sulfanylpyridine-2-carbonitrile has a molecular weight of 244.28 g/mol, XLogP of 1.06, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,6-diaminopyrimidin-2-yl)sulfanylpyridine-2-carbonitrile is sourced from PubChem (CID 55156681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).