2-(pyrimidin-4-ylsulfanylmethyl)pyridin-4-amine

C10H10N4S — CID 79259350

IUPAC2-(pyrimidin-4-ylsulfanylmethyl)pyridin-4-amine
SMILESNc1ccnc(CSc2ccncn2)c1
InChIInChI=1S/C10H10N4S/c11-8-1-4-13-9(5-8)6-15-10-2-3-12-7-14-10/h1-5,7H,6H2,(H2,11,13)
InChIKeyKFJVHNHEDAFHLO-UHFFFAOYSA-N
MW218.29 g/mol
LogP1.75
Rot. Bonds3

About 2-(pyrimidin-4-ylsulfanylmethyl)pyridin-4-amine

2-(pyrimidin-4-ylsulfanylmethyl)pyridin-4-amine (PubChem CID 79259350) has the molecular formula C10H10N4S and a molecular weight of 218.29 g/mol. Its IUPAC name is 2-(pyrimidin-4-ylsulfanylmethyl)pyridin-4-amine.

Molecular Properties

Compound Name2-(pyrimidin-4-ylsulfanylmethyl)pyridin-4-amine
PubChem CID79259350
Molecular FormulaC10H10N4S
Molecular Weight218.29 g/mol
Exact Mass218.06
IUPAC Name2-(pyrimidin-4-ylsulfanylmethyl)pyridin-4-amine
SMILESNc1ccnc(CSc2ccncn2)c1
InChIInChI=1S/C10H10N4S/c11-8-1-4-13-9(5-8)6-15-10-2-3-12-7-14-10/h1-5,7H,6H2,(H2,11,13)
InChIKeyKFJVHNHEDAFHLO-UHFFFAOYSA-N
XLogP1.75
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.29
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(pyrimidin-4-ylsulfanylmethyl)pyridin-4-amine?
The IUPAC name of 2-(pyrimidin-4-ylsulfanylmethyl)pyridin-4-amine (CID 79259350) is 2-(pyrimidin-4-ylsulfanylmethyl)pyridin-4-amine.
What is the SMILES notation for 2-(pyrimidin-4-ylsulfanylmethyl)pyridin-4-amine?
The canonical SMILES for 2-(pyrimidin-4-ylsulfanylmethyl)pyridin-4-amine is Nc1ccnc(CSc2ccncn2)c1.
What is the InChIKey of 2-(pyrimidin-4-ylsulfanylmethyl)pyridin-4-amine?
The InChIKey is KFJVHNHEDAFHLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4S/c11-8-1-4-13-9(5-8)6-15-10-2-3-12-7-14-10/h1-5,7H,6H2,(H2,11,13).
What are the key properties of 2-(pyrimidin-4-ylsulfanylmethyl)pyridin-4-amine?
2-(pyrimidin-4-ylsulfanylmethyl)pyridin-4-amine has a molecular weight of 218.29 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyrimidin-4-ylsulfanylmethyl)pyridin-4-amine is sourced from PubChem (CID 79259350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).