4-(2,6-dimethylpyrimidin-4-yl)sulfanylpyridin-3-amine

C11H12N4S — CID 62112470

IUPAC4-(2,6-dimethylpyrimidin-4-yl)sulfanylpyridin-3-amine
SMILESCc1cc(Sc2ccncc2N)nc(C)n1
InChIInChI=1S/C11H12N4S/c1-7-5-11(15-8(2)14-7)16-10-3-4-13-6-9(10)12/h3-6H,12H2,1-2H3
InChIKeyBUPZDPQPJDRMQI-UHFFFAOYSA-N
MW232.31 g/mol
LogP2.22
Rot. Bonds2

About 4-(2,6-dimethylpyrimidin-4-yl)sulfanylpyridin-3-amine

4-(2,6-dimethylpyrimidin-4-yl)sulfanylpyridin-3-amine (PubChem CID 62112470) has the molecular formula C11H12N4S and a molecular weight of 232.31 g/mol. Its IUPAC name is 4-(2,6-dimethylpyrimidin-4-yl)sulfanylpyridin-3-amine.

Molecular Properties

Compound Name4-(2,6-dimethylpyrimidin-4-yl)sulfanylpyridin-3-amine
PubChem CID62112470
Molecular FormulaC11H12N4S
Molecular Weight232.31 g/mol
Exact Mass232.08
IUPAC Name4-(2,6-dimethylpyrimidin-4-yl)sulfanylpyridin-3-amine
SMILESCc1cc(Sc2ccncc2N)nc(C)n1
InChIInChI=1S/C11H12N4S/c1-7-5-11(15-8(2)14-7)16-10-3-4-13-6-9(10)12/h3-6H,12H2,1-2H3
InChIKeyBUPZDPQPJDRMQI-UHFFFAOYSA-N
XLogP2.22
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethylpyrimidin-4-yl)sulfanylpyridin-3-amine?
The IUPAC name of 4-(2,6-dimethylpyrimidin-4-yl)sulfanylpyridin-3-amine (CID 62112470) is 4-(2,6-dimethylpyrimidin-4-yl)sulfanylpyridin-3-amine.
What is the SMILES notation for 4-(2,6-dimethylpyrimidin-4-yl)sulfanylpyridin-3-amine?
The canonical SMILES for 4-(2,6-dimethylpyrimidin-4-yl)sulfanylpyridin-3-amine is Cc1cc(Sc2ccncc2N)nc(C)n1.
What is the InChIKey of 4-(2,6-dimethylpyrimidin-4-yl)sulfanylpyridin-3-amine?
The InChIKey is BUPZDPQPJDRMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4S/c1-7-5-11(15-8(2)14-7)16-10-3-4-13-6-9(10)12/h3-6H,12H2,1-2H3.
What are the key properties of 4-(2,6-dimethylpyrimidin-4-yl)sulfanylpyridin-3-amine?
4-(2,6-dimethylpyrimidin-4-yl)sulfanylpyridin-3-amine has a molecular weight of 232.31 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethylpyrimidin-4-yl)sulfanylpyridin-3-amine is sourced from PubChem (CID 62112470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).