5-(3-methylsulfonylphenyl)-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine

C19H16N4O2S2 — CID 66835775

IUPAC5-(3-methylsulfonylphenyl)-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCS(=O)(=O)c1cccc(-c2csc3ncnc(NCc4ccccn4)c23)c1
InChIInChI=1S/C19H16N4O2S2/c1-27(24,25)15-7-4-5-13(9-15)16-11-26-19-17(16)18(22-12-23-19)21-10-14-6-2-3-8-20-14/h2-9,11-12H,10H2,1H3,(H,21,22,23)
InChIKeyNNGFDDHHLUNLEH-UHFFFAOYSA-N
MW396.50 g/mol
LogP3.77
Rot. Bonds5

About 5-(3-methylsulfonylphenyl)-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine

5-(3-methylsulfonylphenyl)-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 66835775) has the molecular formula C19H16N4O2S2 and a molecular weight of 396.50 g/mol. Its IUPAC name is 5-(3-methylsulfonylphenyl)-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(3-methylsulfonylphenyl)-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID66835775
Molecular FormulaC19H16N4O2S2
Molecular Weight396.50 g/mol
Exact Mass396.07
IUPAC Name5-(3-methylsulfonylphenyl)-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCS(=O)(=O)c1cccc(-c2csc3ncnc(NCc4ccccn4)c23)c1
InChIInChI=1S/C19H16N4O2S2/c1-27(24,25)15-7-4-5-13(9-15)16-11-26-19-17(16)18(22-12-23-19)21-10-14-6-2-3-8-20-14/h2-9,11-12H,10H2,1H3,(H,21,22,23)
InChIKeyNNGFDDHHLUNLEH-UHFFFAOYSA-N
XLogP3.77
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.50
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-(3-methylsulfonylphenyl)-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-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

5-(3,4-difluorophenyl)-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 68621492
N-[(6-methyl-2-pyridinyl)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 68621787
2-methoxy-5-phenyl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 11360029
7-(3-methylsulfonylphenyl)-3-phenylthieno[3,2-c]pyridin-4-amine
CID 141322450
5-phenyl-N-(pyridin-2-ylmethyl)-2-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine
CID 68623687
5-phenyl-4-(pyridin-2-ylmethylamino)thieno[2,3-d]pyrimidine-2-carbonitrile
CID 67382151
5-phenyl-2-pyridin-3-yl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 9280016
4-[[4-(pyridin-2-ylmethylamino)thieno[2,3-d]pyrimidin-5-yl]methyl]benzoic acid
CID 174509384
2-N-(2-methoxyethyl)-5-phenyl-4-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 67382340
4-[2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]benzenesulfonamide
CID 2424566
2-[2-(dimethylamino)ethoxy]-5-phenyl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 68622417
5-phenyl-N-prop-2-enylthieno[2,3-d]pyrimidin-4-amine
CID 3151763

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylsulfonylphenyl)-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-(3-methylsulfonylphenyl)-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (CID 66835775) is 5-(3-methylsulfonylphenyl)-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-(3-methylsulfonylphenyl)-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-(3-methylsulfonylphenyl)-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is CS(=O)(=O)c1cccc(-c2csc3ncnc(NCc4ccccn4)c23)c1.
What is the InChIKey of 5-(3-methylsulfonylphenyl)-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is NNGFDDHHLUNLEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2S2/c1-27(24,25)15-7-4-5-13(9-15)16-11-26-19-17(16)18(22-12-23-19)21-10-14-6-2-3-8-20-14/h2-9,11-12H,10H2,1H3,(H,21,22,23).
What are the key properties of 5-(3-methylsulfonylphenyl)-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
5-(3-methylsulfonylphenyl)-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 396.50 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylsulfonylphenyl)-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 66835775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).