[3-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-2-pyridinyl]methanamine

C12H14N4S — CID 55128212

IUPAC[3-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-2-pyridinyl]methanamine
SMILESCc1ccnc(SCc2cccnc2CN)n1
InChIInChI=1S/C12H14N4S/c1-9-4-6-15-12(16-9)17-8-10-3-2-5-14-11(10)7-13/h2-6H,7-8,13H2,1H3
InChIKeyHVAOIVKKDFCLEL-UHFFFAOYSA-N
MW246.34 g/mol
LogP1.93
Rot. Bonds4

About [3-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-2-pyridinyl]methanamine

[3-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-2-pyridinyl]methanamine (PubChem CID 55128212) has the molecular formula C12H14N4S and a molecular weight of 246.34 g/mol. Its IUPAC name is [3-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[3-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-2-pyridinyl]methanamine
PubChem CID55128212
Molecular FormulaC12H14N4S
Molecular Weight246.34 g/mol
Exact Mass246.09
IUPAC Name[3-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-2-pyridinyl]methanamine
SMILESCc1ccnc(SCc2cccnc2CN)n1
InChIInChI=1S/C12H14N4S/c1-9-4-6-15-12(16-9)17-8-10-3-2-5-14-11(10)7-13/h2-6H,7-8,13H2,1H3
InChIKeyHVAOIVKKDFCLEL-UHFFFAOYSA-N
XLogP1.93
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-2-pyridinyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-2-pyridinyl]methanamine?
The IUPAC name of [3-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-2-pyridinyl]methanamine (CID 55128212) is [3-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-2-pyridinyl]methanamine.
What is the SMILES notation for [3-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-2-pyridinyl]methanamine?
The canonical SMILES for [3-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-2-pyridinyl]methanamine is Cc1ccnc(SCc2cccnc2CN)n1.
What is the InChIKey of [3-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-2-pyridinyl]methanamine?
The InChIKey is HVAOIVKKDFCLEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4S/c1-9-4-6-15-12(16-9)17-8-10-3-2-5-14-11(10)7-13/h2-6H,7-8,13H2,1H3.
What are the key properties of [3-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-2-pyridinyl]methanamine?
[3-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-2-pyridinyl]methanamine has a molecular weight of 246.34 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-2-pyridinyl]methanamine is sourced from PubChem (CID 55128212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).