N,4-dimethyl-6-pyridin-2-ylsulfanylpyrimidin-2-amine

C11H12N4S — CID 80883368

IUPACN,4-dimethyl-6-pyridin-2-ylsulfanylpyrimidin-2-amine
SMILESCNc1nc(C)cc(Sc2ccccn2)n1
InChIInChI=1S/C11H12N4S/c1-8-7-10(15-11(12-2)14-8)16-9-5-3-4-6-13-9/h3-7H,1-2H3,(H,12,14,15)
InChIKeyRENAMHXHWAHXEH-UHFFFAOYSA-N
MW232.31 g/mol
LogP2.37
Rot. Bonds3

About N,4-dimethyl-6-pyridin-2-ylsulfanylpyrimidin-2-amine

N,4-dimethyl-6-pyridin-2-ylsulfanylpyrimidin-2-amine (PubChem CID 80883368) has the molecular formula C11H12N4S and a molecular weight of 232.31 g/mol. Its IUPAC name is N,4-dimethyl-6-pyridin-2-ylsulfanylpyrimidin-2-amine.

Molecular Properties

Compound NameN,4-dimethyl-6-pyridin-2-ylsulfanylpyrimidin-2-amine
PubChem CID80883368
Molecular FormulaC11H12N4S
Molecular Weight232.31 g/mol
Exact Mass232.08
IUPAC NameN,4-dimethyl-6-pyridin-2-ylsulfanylpyrimidin-2-amine
SMILESCNc1nc(C)cc(Sc2ccccn2)n1
InChIInChI=1S/C11H12N4S/c1-8-7-10(15-11(12-2)14-8)16-9-5-3-4-6-13-9/h3-7H,1-2H3,(H,12,14,15)
InChIKeyRENAMHXHWAHXEH-UHFFFAOYSA-N
XLogP2.37
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-6-pyridin-2-ylsulfanylpyrimidin-2-amine?
The IUPAC name of N,4-dimethyl-6-pyridin-2-ylsulfanylpyrimidin-2-amine (CID 80883368) is N,4-dimethyl-6-pyridin-2-ylsulfanylpyrimidin-2-amine.
What is the SMILES notation for N,4-dimethyl-6-pyridin-2-ylsulfanylpyrimidin-2-amine?
The canonical SMILES for N,4-dimethyl-6-pyridin-2-ylsulfanylpyrimidin-2-amine is CNc1nc(C)cc(Sc2ccccn2)n1.
What is the InChIKey of N,4-dimethyl-6-pyridin-2-ylsulfanylpyrimidin-2-amine?
The InChIKey is RENAMHXHWAHXEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4S/c1-8-7-10(15-11(12-2)14-8)16-9-5-3-4-6-13-9/h3-7H,1-2H3,(H,12,14,15).
What are the key properties of N,4-dimethyl-6-pyridin-2-ylsulfanylpyrimidin-2-amine?
N,4-dimethyl-6-pyridin-2-ylsulfanylpyrimidin-2-amine has a molecular weight of 232.31 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-6-pyridin-2-ylsulfanylpyrimidin-2-amine is sourced from PubChem (CID 80883368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).