6-butylsulfinyl-2,4-diphenylthieno[2,3-d]pyrimidin-5-amine

C22H21N3OS2 — CID 90051604

IUPAC6-butylsulfinyl-2,4-diphenylthieno[2,3-d]pyrimidin-5-amine
SMILESCCCCS(=O)c1sc2nc(-c3ccccc3)nc(-c3ccccc3)c2c1N
InChIInChI=1S/C22H21N3OS2/c1-2-3-14-28(26)22-18(23)17-19(15-10-6-4-7-11-15)24-20(25-21(17)27-22)16-12-8-5-9-13-16/h4-13H,2-3,14,23H2,1H3
InChIKeyGCZFXDLEQAGNAQ-UHFFFAOYSA-N
MW407.56 g/mol
LogP5.52
Rot. Bonds6

About 6-butylsulfinyl-2,4-diphenylthieno[2,3-d]pyrimidin-5-amine

6-butylsulfinyl-2,4-diphenylthieno[2,3-d]pyrimidin-5-amine (PubChem CID 90051604) has the molecular formula C22H21N3OS2 and a molecular weight of 407.56 g/mol. Its IUPAC name is 6-butylsulfinyl-2,4-diphenylthieno[2,3-d]pyrimidin-5-amine.

Molecular Properties

Compound Name6-butylsulfinyl-2,4-diphenylthieno[2,3-d]pyrimidin-5-amine
PubChem CID90051604
Molecular FormulaC22H21N3OS2
Molecular Weight407.56 g/mol
Exact Mass407.11
IUPAC Name6-butylsulfinyl-2,4-diphenylthieno[2,3-d]pyrimidin-5-amine
SMILESCCCCS(=O)c1sc2nc(-c3ccccc3)nc(-c3ccccc3)c2c1N
InChIInChI=1S/C22H21N3OS2/c1-2-3-14-28(26)22-18(23)17-19(15-10-6-4-7-11-15)24-20(25-21(17)27-22)16-12-8-5-9-13-16/h4-13H,2-3,14,23H2,1H3
InChIKeyGCZFXDLEQAGNAQ-UHFFFAOYSA-N
XLogP5.52
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.56
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-Diamino-6-benzyl-5-methylthieno[2,3-d]pyrimidine
CID 457382
2-Phenylthieno(2,3-d)pyrimidin-4-amine
CID 62188326
6-Butylsulfinyl-4-phenyl-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine
CID 118059092
2-Phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 337817
12-Benzyl-11,13-dimethyl-8-thia-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5,10,12-hexaen-6-amine
CID 25190904
5-Methyl-6-phenyl-thieno[2,3-d]pyrimidine-2,4-diamine
CID 457380
2-[(2-phenylethyl)sulfanyl]-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-amine
CID 703068
N*4*-Methyl-N*4*-phenyl-N*2*-o-tolyl-thieno[2,3-d]pyrimidine-2,4-diamine
CID 10088984
6-Benzyl-2-(2-methyl-thiazol-4-yl)-thieno[2,3-d]pyrimidin-4-ylamine
CID 45274228
6-Benzyl-2-phenyl-thieno[2,3-d]pyrimidin-4-ylamine
CID 45275058
6-Benzyl-2-(3-trifluoromethyl-phenyl)-thieno[2,3-d]pyrimidin-4-ylamine
CID 45275171
6-Benzyl-2-(3-fluoro-phenyl)-thieno[2,3-d]pyrimidin-4-ylamine
CID 45275173

Frequently Asked Questions

What is the IUPAC name of 6-butylsulfinyl-2,4-diphenylthieno[2,3-d]pyrimidin-5-amine?
The IUPAC name of 6-butylsulfinyl-2,4-diphenylthieno[2,3-d]pyrimidin-5-amine (CID 90051604) is 6-butylsulfinyl-2,4-diphenylthieno[2,3-d]pyrimidin-5-amine.
What is the SMILES notation for 6-butylsulfinyl-2,4-diphenylthieno[2,3-d]pyrimidin-5-amine?
The canonical SMILES for 6-butylsulfinyl-2,4-diphenylthieno[2,3-d]pyrimidin-5-amine is CCCCS(=O)c1sc2nc(-c3ccccc3)nc(-c3ccccc3)c2c1N.
What is the InChIKey of 6-butylsulfinyl-2,4-diphenylthieno[2,3-d]pyrimidin-5-amine?
The InChIKey is GCZFXDLEQAGNAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3OS2/c1-2-3-14-28(26)22-18(23)17-19(15-10-6-4-7-11-15)24-20(25-21(17)27-22)16-12-8-5-9-13-16/h4-13H,2-3,14,23H2,1H3.
What are the key properties of 6-butylsulfinyl-2,4-diphenylthieno[2,3-d]pyrimidin-5-amine?
6-butylsulfinyl-2,4-diphenylthieno[2,3-d]pyrimidin-5-amine has a molecular weight of 407.56 g/mol, XLogP of 5.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butylsulfinyl-2,4-diphenylthieno[2,3-d]pyrimidin-5-amine is sourced from PubChem (CID 90051604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).