6-(4-methylsulfonylphenyl)-N-[(1R)-1-phenylethyl]thieno[2,3-d]pyrimidin-4-amine

C21H19N3O2S2 — CID 127026467

IUPAC6-(4-methylsulfonylphenyl)-N-[(1R)-1-phenylethyl]thieno[2,3-d]pyrimidin-4-amine
SMILESC[C@@H](Nc1ncnc2sc(-c3ccc(S(C)(=O)=O)cc3)cc12)c1ccccc1
InChIInChI=1S/C21H19N3O2S2/c1-14(15-6-4-3-5-7-15)24-20-18-12-19(27-21(18)23-13-22-20)16-8-10-17(11-9-16)28(2,25)26/h3-14H,1-2H3,(H,22,23,24)/t14-/m1/s1
InChIKeyNDNROOMOCCOVQA-CQSZACIVSA-N
MW409.54 g/mol
LogP4.93
Rot. Bonds5

About 6-(4-methylsulfonylphenyl)-N-[(1R)-1-phenylethyl]thieno[2,3-d]pyrimidin-4-amine

6-(4-methylsulfonylphenyl)-N-[(1R)-1-phenylethyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 127026467) has the molecular formula C21H19N3O2S2 and a molecular weight of 409.54 g/mol. Its IUPAC name is 6-(4-methylsulfonylphenyl)-N-[(1R)-1-phenylethyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-methylsulfonylphenyl)-N-[(1R)-1-phenylethyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID127026467
Molecular FormulaC21H19N3O2S2
Molecular Weight409.54 g/mol
Exact Mass409.09
IUPAC Name6-(4-methylsulfonylphenyl)-N-[(1R)-1-phenylethyl]thieno[2,3-d]pyrimidin-4-amine
SMILESC[C@@H](Nc1ncnc2sc(-c3ccc(S(C)(=O)=O)cc3)cc12)c1ccccc1
InChIInChI=1S/C21H19N3O2S2/c1-14(15-6-4-3-5-7-15)24-20-18-12-19(27-21(18)23-13-22-20)16-8-10-17(11-9-16)28(2,25)26/h3-14H,1-2H3,(H,22,23,24)/t14-/m1/s1
InChIKeyNDNROOMOCCOVQA-CQSZACIVSA-N
XLogP4.93
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.54
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(4-methylsulfonylphenyl)-N-[(1R)-1-phenylethyl]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

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylsulfonylphenyl)-N-[(1R)-1-phenylethyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-(4-methylsulfonylphenyl)-N-[(1R)-1-phenylethyl]thieno[2,3-d]pyrimidin-4-amine (CID 127026467) is 6-(4-methylsulfonylphenyl)-N-[(1R)-1-phenylethyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-(4-methylsulfonylphenyl)-N-[(1R)-1-phenylethyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-(4-methylsulfonylphenyl)-N-[(1R)-1-phenylethyl]thieno[2,3-d]pyrimidin-4-amine is C[C@@H](Nc1ncnc2sc(-c3ccc(S(C)(=O)=O)cc3)cc12)c1ccccc1.
What is the InChIKey of 6-(4-methylsulfonylphenyl)-N-[(1R)-1-phenylethyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is NDNROOMOCCOVQA-CQSZACIVSA-N. The full InChI is InChI=1S/C21H19N3O2S2/c1-14(15-6-4-3-5-7-15)24-20-18-12-19(27-21(18)23-13-22-20)16-8-10-17(11-9-16)28(2,25)26/h3-14H,1-2H3,(H,22,23,24)/t14-/m1/s1.
What are the key properties of 6-(4-methylsulfonylphenyl)-N-[(1R)-1-phenylethyl]thieno[2,3-d]pyrimidin-4-amine?
6-(4-methylsulfonylphenyl)-N-[(1R)-1-phenylethyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 409.54 g/mol, XLogP of 4.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylsulfonylphenyl)-N-[(1R)-1-phenylethyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 127026467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).