2-[(5-methylpyrimidin-2-yl)sulfanylmethyl]pyridin-4-amine

C11H12N4S — CID 79259807

IUPAC2-[(5-methylpyrimidin-2-yl)sulfanylmethyl]pyridin-4-amine
SMILESCc1cnc(SCc2cc(N)ccn2)nc1
InChIInChI=1S/C11H12N4S/c1-8-5-14-11(15-6-8)16-7-10-4-9(12)2-3-13-10/h2-6H,7H2,1H3,(H2,12,13)
InChIKeyMKQVXTKQYKUVFE-UHFFFAOYSA-N
MW232.31 g/mol
LogP2.05
Rot. Bonds3

About 2-[(5-methylpyrimidin-2-yl)sulfanylmethyl]pyridin-4-amine

2-[(5-methylpyrimidin-2-yl)sulfanylmethyl]pyridin-4-amine (PubChem CID 79259807) has the molecular formula C11H12N4S and a molecular weight of 232.31 g/mol. Its IUPAC name is 2-[(5-methylpyrimidin-2-yl)sulfanylmethyl]pyridin-4-amine.

Molecular Properties

Compound Name2-[(5-methylpyrimidin-2-yl)sulfanylmethyl]pyridin-4-amine
PubChem CID79259807
Molecular FormulaC11H12N4S
Molecular Weight232.31 g/mol
Exact Mass232.08
IUPAC Name2-[(5-methylpyrimidin-2-yl)sulfanylmethyl]pyridin-4-amine
SMILESCc1cnc(SCc2cc(N)ccn2)nc1
InChIInChI=1S/C11H12N4S/c1-8-5-14-11(15-6-8)16-7-10-4-9(12)2-3-13-10/h2-6H,7H2,1H3,(H2,12,13)
InChIKeyMKQVXTKQYKUVFE-UHFFFAOYSA-N
XLogP2.05
TPSA64.69 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 ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methylpyrimidin-2-yl)sulfanylmethyl]pyridin-4-amine?
The IUPAC name of 2-[(5-methylpyrimidin-2-yl)sulfanylmethyl]pyridin-4-amine (CID 79259807) is 2-[(5-methylpyrimidin-2-yl)sulfanylmethyl]pyridin-4-amine.
What is the SMILES notation for 2-[(5-methylpyrimidin-2-yl)sulfanylmethyl]pyridin-4-amine?
The canonical SMILES for 2-[(5-methylpyrimidin-2-yl)sulfanylmethyl]pyridin-4-amine is Cc1cnc(SCc2cc(N)ccn2)nc1.
What is the InChIKey of 2-[(5-methylpyrimidin-2-yl)sulfanylmethyl]pyridin-4-amine?
The InChIKey is MKQVXTKQYKUVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4S/c1-8-5-14-11(15-6-8)16-7-10-4-9(12)2-3-13-10/h2-6H,7H2,1H3,(H2,12,13).
What are the key properties of 2-[(5-methylpyrimidin-2-yl)sulfanylmethyl]pyridin-4-amine?
2-[(5-methylpyrimidin-2-yl)sulfanylmethyl]pyridin-4-amine has a molecular weight of 232.31 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methylpyrimidin-2-yl)sulfanylmethyl]pyridin-4-amine is sourced from PubChem (CID 79259807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).