3-[amino-(4-methylsulfanylphenyl)methyl]pyridin-4-amine

C13H15N3S — CID 106848437

IUPAC3-[amino-(4-methylsulfanylphenyl)methyl]pyridin-4-amine
SMILESCSc1ccc(C(N)c2cnccc2N)cc1
InChIInChI=1S/C13H15N3S/c1-17-10-4-2-9(3-5-10)13(15)11-8-16-7-6-12(11)14/h2-8,13H,15H2,1H3,(H2,14,16)
InChIKeyURPWJSOWHVGTQO-UHFFFAOYSA-N
MW245.35 g/mol
LogP2.43
Rot. Bonds3

About 3-[amino-(4-methylsulfanylphenyl)methyl]pyridin-4-amine

3-[amino-(4-methylsulfanylphenyl)methyl]pyridin-4-amine (PubChem CID 106848437) has the molecular formula C13H15N3S and a molecular weight of 245.35 g/mol. Its IUPAC name is 3-[amino-(4-methylsulfanylphenyl)methyl]pyridin-4-amine.

Molecular Properties

Compound Name3-[amino-(4-methylsulfanylphenyl)methyl]pyridin-4-amine
PubChem CID106848437
Molecular FormulaC13H15N3S
Molecular Weight245.35 g/mol
Exact Mass245.10
IUPAC Name3-[amino-(4-methylsulfanylphenyl)methyl]pyridin-4-amine
SMILESCSc1ccc(C(N)c2cnccc2N)cc1
InChIInChI=1S/C13H15N3S/c1-17-10-4-2-9(3-5-10)13(15)11-8-16-7-6-12(11)14/h2-8,13H,15H2,1H3,(H2,14,16)
InChIKeyURPWJSOWHVGTQO-UHFFFAOYSA-N
XLogP2.43
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[amino-(4-methylsulfanylphenyl)methyl]pyridin-4-amine with MolForge

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

Launch Full Analysis

Related Compounds

(4-methylsulfanylphenyl)-pyrazin-2-ylmethanamine
CID 115860586
(4-methylsulfanylphenyl)-(2,4,5-trifluorophenyl)methanamine
CID 103302099
(4-ethylsulfanylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 106848731
(4-bromophenyl)-(4-methylsulfanylphenyl)methanamine
CID 79214742
3-[amino-(3-methylfuran-2-yl)methyl]pyridin-4-amine
CID 104804566
1-(4-amino-3-pyridinyl)-4-methylsulfanylbutan-1-ol
CID 103090078
(2-methoxyphenyl)-(4-methylsulfanylphenyl)methanamine
CID 115793279
(2,3-dimethylphenyl)-(4-methylsulfanylphenyl)methanamine
CID 115850522
3-[amino-(4-bromo-2-methylphenyl)methyl]pyridin-4-amine
CID 103083620
(2-methylpyrazol-3-yl)-(4-methylsulfanylphenyl)methanamine
CID 115858788
(2-chloro-4,5-dimethylphenyl)-(4-methylsulfanylphenyl)methanamine
CID 115483792
3-[amino(thieno[3,2-b]pyridin-6-yl)methyl]pyridin-4-amine
CID 81143770

Frequently Asked Questions

What is the IUPAC name of 3-[amino-(4-methylsulfanylphenyl)methyl]pyridin-4-amine?
The IUPAC name of 3-[amino-(4-methylsulfanylphenyl)methyl]pyridin-4-amine (CID 106848437) is 3-[amino-(4-methylsulfanylphenyl)methyl]pyridin-4-amine.
What is the SMILES notation for 3-[amino-(4-methylsulfanylphenyl)methyl]pyridin-4-amine?
The canonical SMILES for 3-[amino-(4-methylsulfanylphenyl)methyl]pyridin-4-amine is CSc1ccc(C(N)c2cnccc2N)cc1.
What is the InChIKey of 3-[amino-(4-methylsulfanylphenyl)methyl]pyridin-4-amine?
The InChIKey is URPWJSOWHVGTQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3S/c1-17-10-4-2-9(3-5-10)13(15)11-8-16-7-6-12(11)14/h2-8,13H,15H2,1H3,(H2,14,16).
What are the key properties of 3-[amino-(4-methylsulfanylphenyl)methyl]pyridin-4-amine?
3-[amino-(4-methylsulfanylphenyl)methyl]pyridin-4-amine has a molecular weight of 245.35 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[amino-(4-methylsulfanylphenyl)methyl]pyridin-4-amine is sourced from PubChem (CID 106848437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).