6-(2-aminopyrimidin-5-yl)-2-butylsulfanyl-N-methyl-4-phenylthieno[2,3-b]pyridin-3-amine

C22H23N5S2 — CID 142485810

IUPAC6-(2-aminopyrimidin-5-yl)-2-butylsulfanyl-N-methyl-4-phenylthieno[2,3-b]pyridin-3-amine
SMILESCCCCSc1sc2nc(-c3cnc(N)nc3)cc(-c3ccccc3)c2c1NC
InChIInChI=1S/C22H23N5S2/c1-3-4-10-28-21-19(24-2)18-16(14-8-6-5-7-9-14)11-17(27-20(18)29-21)15-12-25-22(23)26-13-15/h5-9,11-13,24H,3-4,10H2,1-2H3,(H2,23,25,26)
InChIKeyUJPLIGRNFLYNEK-UHFFFAOYSA-N
MW421.60 g/mol
LogP5.94
Rot. Bonds7

About 6-(2-aminopyrimidin-5-yl)-2-butylsulfanyl-N-methyl-4-phenylthieno[2,3-b]pyridin-3-amine

6-(2-aminopyrimidin-5-yl)-2-butylsulfanyl-N-methyl-4-phenylthieno[2,3-b]pyridin-3-amine (PubChem CID 142485810) has the molecular formula C22H23N5S2 and a molecular weight of 421.60 g/mol. Its IUPAC name is 6-(2-aminopyrimidin-5-yl)-2-butylsulfanyl-N-methyl-4-phenylthieno[2,3-b]pyridin-3-amine.

Molecular Properties

Compound Name6-(2-aminopyrimidin-5-yl)-2-butylsulfanyl-N-methyl-4-phenylthieno[2,3-b]pyridin-3-amine
PubChem CID142485810
Molecular FormulaC22H23N5S2
Molecular Weight421.60 g/mol
Exact Mass421.14
IUPAC Name6-(2-aminopyrimidin-5-yl)-2-butylsulfanyl-N-methyl-4-phenylthieno[2,3-b]pyridin-3-amine
SMILESCCCCSc1sc2nc(-c3cnc(N)nc3)cc(-c3ccccc3)c2c1NC
InChIInChI=1S/C22H23N5S2/c1-3-4-10-28-21-19(24-2)18-16(14-8-6-5-7-9-14)11-17(27-20(18)29-21)15-12-25-22(23)26-13-15/h5-9,11-13,24H,3-4,10H2,1-2H3,(H2,23,25,26)
InChIKeyUJPLIGRNFLYNEK-UHFFFAOYSA-N
XLogP5.94
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.60
LogP ≤ 55.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-(2-aminopyrimidin-5-yl)-2-butylsulfanyl-N-methyl-4-phenylthieno[2,3-b]pyridin-3-amine with MolForge

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Related Compounds

2-butylsulfinyl-6-[2-(methylamino)pyrimidin-5-yl]-4-phenylthieno[2,3-b]pyridin-3-amine
CID 142485864
6-(6-amino-3-pyridinyl)-2-[(S)-butylsulfinyl]-4-phenylthieno[2,3-b]pyridin-3-amine
CID 142485859
4-[3-amino-2-butylsulfanyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]benzoic acid;ethane
CID 142485751
2-[4-[3-amino-2-butylsulfanyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]propan-2-ol
CID 145170887
2-butylsulfanyl-4-(2-cyclopropyl-3-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine
CID 142485771
2-[[5-[3-amino-4-(4-fluorophenyl)-2-(3-methoxypropylsulfanyl)thieno[2,3-b]pyridin-6-yl]pyrimidin-2-yl]amino]ethanol
CID 147706678
3-[3-amino-2-butylsulfanyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]-N-prop-2-enylbenzamide
CID 142485815
5-(3-amino-2-cyclobutylsulfanyl-4-phenylthieno[2,3-b]pyridin-6-yl)-N-methylpyrimidine-2-carboxamide
CID 162728487
ethyl 3-amino-4-(4-methylphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxylate
CID 15681722
2-octylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine
CID 3337992
2-butylsulfanyl-4-(1-methylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine
CID 170737991
4-[3-amino-2-(2-methoxyethylsulfanyl)-4-phenylthieno[2,3-b]pyridin-6-yl]-1H-pyrimidin-3-ium-6-one
CID 170737950

Frequently Asked Questions

What is the IUPAC name of 6-(2-aminopyrimidin-5-yl)-2-butylsulfanyl-N-methyl-4-phenylthieno[2,3-b]pyridin-3-amine?
The IUPAC name of 6-(2-aminopyrimidin-5-yl)-2-butylsulfanyl-N-methyl-4-phenylthieno[2,3-b]pyridin-3-amine (CID 142485810) is 6-(2-aminopyrimidin-5-yl)-2-butylsulfanyl-N-methyl-4-phenylthieno[2,3-b]pyridin-3-amine.
What is the SMILES notation for 6-(2-aminopyrimidin-5-yl)-2-butylsulfanyl-N-methyl-4-phenylthieno[2,3-b]pyridin-3-amine?
The canonical SMILES for 6-(2-aminopyrimidin-5-yl)-2-butylsulfanyl-N-methyl-4-phenylthieno[2,3-b]pyridin-3-amine is CCCCSc1sc2nc(-c3cnc(N)nc3)cc(-c3ccccc3)c2c1NC.
What is the InChIKey of 6-(2-aminopyrimidin-5-yl)-2-butylsulfanyl-N-methyl-4-phenylthieno[2,3-b]pyridin-3-amine?
The InChIKey is UJPLIGRNFLYNEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5S2/c1-3-4-10-28-21-19(24-2)18-16(14-8-6-5-7-9-14)11-17(27-20(18)29-21)15-12-25-22(23)26-13-15/h5-9,11-13,24H,3-4,10H2,1-2H3,(H2,23,25,26).
What are the key properties of 6-(2-aminopyrimidin-5-yl)-2-butylsulfanyl-N-methyl-4-phenylthieno[2,3-b]pyridin-3-amine?
6-(2-aminopyrimidin-5-yl)-2-butylsulfanyl-N-methyl-4-phenylthieno[2,3-b]pyridin-3-amine has a molecular weight of 421.60 g/mol, XLogP of 5.94, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminopyrimidin-5-yl)-2-butylsulfanyl-N-methyl-4-phenylthieno[2,3-b]pyridin-3-amine is sourced from PubChem (CID 142485810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).