2-methylsulfanyl-N,N-bis(pyridin-2-ylmethyl)-6-thiophen-3-ylpyrimidin-4-amine

C21H19N5S2 — CID 155567089

IUPAC2-methylsulfanyl-N,N-bis(pyridin-2-ylmethyl)-6-thiophen-3-ylpyrimidin-4-amine
SMILESCSc1nc(-c2ccsc2)cc(N(Cc2ccccn2)Cc2ccccn2)n1
InChIInChI=1S/C21H19N5S2/c1-27-21-24-19(16-8-11-28-15-16)12-20(25-21)26(13-17-6-2-4-9-22-17)14-18-7-3-5-10-23-18/h2-12,15H,13-14H2,1H3
InChIKeySOCMFBRFHWPXSW-UHFFFAOYSA-N
MW405.55 g/mol
LogP4.92
Rot. Bonds7

About 2-methylsulfanyl-N,N-bis(pyridin-2-ylmethyl)-6-thiophen-3-ylpyrimidin-4-amine

2-methylsulfanyl-N,N-bis(pyridin-2-ylmethyl)-6-thiophen-3-ylpyrimidin-4-amine (PubChem CID 155567089) has the molecular formula C21H19N5S2 and a molecular weight of 405.55 g/mol. Its IUPAC name is 2-methylsulfanyl-N,N-bis(pyridin-2-ylmethyl)-6-thiophen-3-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-methylsulfanyl-N,N-bis(pyridin-2-ylmethyl)-6-thiophen-3-ylpyrimidin-4-amine
PubChem CID155567089
Molecular FormulaC21H19N5S2
Molecular Weight405.55 g/mol
Exact Mass405.11
IUPAC Name2-methylsulfanyl-N,N-bis(pyridin-2-ylmethyl)-6-thiophen-3-ylpyrimidin-4-amine
SMILESCSc1nc(-c2ccsc2)cc(N(Cc2ccccn2)Cc2ccccn2)n1
InChIInChI=1S/C21H19N5S2/c1-27-21-24-19(16-8-11-28-15-16)12-20(25-21)26(13-17-6-2-4-9-22-17)14-18-7-3-5-10-23-18/h2-12,15H,13-14H2,1H3
InChIKeySOCMFBRFHWPXSW-UHFFFAOYSA-N
XLogP4.92
TPSA54.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.55
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-methylsulfanyl-N,N-bis(pyridin-2-ylmethyl)-6-thiophen-3-ylpyrimidin-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

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N,N-bis(pyridin-2-ylmethyl)-6-thiophen-3-ylpyrimidin-4-amine?
The IUPAC name of 2-methylsulfanyl-N,N-bis(pyridin-2-ylmethyl)-6-thiophen-3-ylpyrimidin-4-amine (CID 155567089) is 2-methylsulfanyl-N,N-bis(pyridin-2-ylmethyl)-6-thiophen-3-ylpyrimidin-4-amine.
What is the SMILES notation for 2-methylsulfanyl-N,N-bis(pyridin-2-ylmethyl)-6-thiophen-3-ylpyrimidin-4-amine?
The canonical SMILES for 2-methylsulfanyl-N,N-bis(pyridin-2-ylmethyl)-6-thiophen-3-ylpyrimidin-4-amine is CSc1nc(-c2ccsc2)cc(N(Cc2ccccn2)Cc2ccccn2)n1.
What is the InChIKey of 2-methylsulfanyl-N,N-bis(pyridin-2-ylmethyl)-6-thiophen-3-ylpyrimidin-4-amine?
The InChIKey is SOCMFBRFHWPXSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5S2/c1-27-21-24-19(16-8-11-28-15-16)12-20(25-21)26(13-17-6-2-4-9-22-17)14-18-7-3-5-10-23-18/h2-12,15H,13-14H2,1H3.
What are the key properties of 2-methylsulfanyl-N,N-bis(pyridin-2-ylmethyl)-6-thiophen-3-ylpyrimidin-4-amine?
2-methylsulfanyl-N,N-bis(pyridin-2-ylmethyl)-6-thiophen-3-ylpyrimidin-4-amine has a molecular weight of 405.55 g/mol, XLogP of 4.92, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N,N-bis(pyridin-2-ylmethyl)-6-thiophen-3-ylpyrimidin-4-amine is sourced from PubChem (CID 155567089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).