6-(2-aminopyrimidin-5-yl)-2-[(R)-cyclobutylsulfinyl]-4-[3-(dimethylamino)-1-methylpyrazol-5-yl]thieno[2,3-b]pyridin-3-amine

C21H24N8OS2 — CID 151226161

IUPAC6-(2-aminopyrimidin-5-yl)-2-[(R)-cyclobutylsulfinyl]-4-[3-(dimethylamino)-1-methylpyrazol-5-yl]thieno[2,3-b]pyridin-3-amine
SMILESCN(C)c1cc(-c2cc(-c3cnc(N)nc3)nc3sc([S@](=O)C4CCC4)c(N)c23)n(C)n1
InChIInChI=1S/C21H24N8OS2/c1-28(2)16-8-15(29(3)27-16)13-7-14(11-9-24-21(23)25-10-11)26-19-17(13)18(22)20(31-19)32(30)12-5-4-6-12/h7-10,12H,4-6,22H2,1-3H3,(H2,23,24,25)/t32-/m1/s1
InChIKeyNNHWUZUWMOZMCN-JGCGQSQUSA-N
MW468.61 g/mol
LogP3.04
Rot. Bonds5

About 6-(2-aminopyrimidin-5-yl)-2-[(R)-cyclobutylsulfinyl]-4-[3-(dimethylamino)-1-methylpyrazol-5-yl]thieno[2,3-b]pyridin-3-amine

6-(2-aminopyrimidin-5-yl)-2-[(R)-cyclobutylsulfinyl]-4-[3-(dimethylamino)-1-methylpyrazol-5-yl]thieno[2,3-b]pyridin-3-amine (PubChem CID 151226161) has the molecular formula C21H24N8OS2 and a molecular weight of 468.61 g/mol. Its IUPAC name is 6-(2-aminopyrimidin-5-yl)-2-[(R)-cyclobutylsulfinyl]-4-[3-(dimethylamino)-1-methylpyrazol-5-yl]thieno[2,3-b]pyridin-3-amine.

Molecular Properties

Compound Name6-(2-aminopyrimidin-5-yl)-2-[(R)-cyclobutylsulfinyl]-4-[3-(dimethylamino)-1-methylpyrazol-5-yl]thieno[2,3-b]pyridin-3-amine
PubChem CID151226161
Molecular FormulaC21H24N8OS2
Molecular Weight468.61 g/mol
Exact Mass468.15
IUPAC Name6-(2-aminopyrimidin-5-yl)-2-[(R)-cyclobutylsulfinyl]-4-[3-(dimethylamino)-1-methylpyrazol-5-yl]thieno[2,3-b]pyridin-3-amine
SMILESCN(C)c1cc(-c2cc(-c3cnc(N)nc3)nc3sc([S@](=O)C4CCC4)c(N)c23)n(C)n1
InChIInChI=1S/C21H24N8OS2/c1-28(2)16-8-15(29(3)27-16)13-7-14(11-9-24-21(23)25-10-11)26-19-17(13)18(22)20(31-19)32(30)12-5-4-6-12/h7-10,12H,4-6,22H2,1-3H3,(H2,23,24,25)/t32-/m1/s1
InChIKeyNNHWUZUWMOZMCN-JGCGQSQUSA-N
XLogP3.04
TPSA128.84 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.61
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 6-(2-aminopyrimidin-5-yl)-2-[(R)-cyclobutylsulfinyl]-4-[3-(dimethylamino)-1-methylpyrazol-5-yl]thieno[2,3-b]pyridin-3-amine with MolForge

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Related Compounds

6-(2-aminopyrimidin-5-yl)-2-cyclobutylsulfinyl-4-(1-methylpyrazol-4-yl)thieno[2,3-b]pyridin-3-amine
CID 167341457
6-(2-aminopyrimidin-5-yl)-2-cyclobutylsulfinyl-4-(5-fluoro-3-pyridinyl)thieno[2,3-b]pyridin-3-amine
CID 152908602
5-[3-amino-2-[(S)-cyclobutylsulfinyl]-4-(2-methylpyrazol-3-yl)thieno[2,3-b]pyridin-6-yl]-1H-pyrimidin-2-one
CID 167341576
2-[(S)-cyclobutylsulfinyl]-6-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-4-phenylthieno[2,3-b]pyridin-3-amine
CID 167341563
2-cyclobutylsulfinyl-6-[2-(oxan-4-yl)pyrimidin-5-yl]-4-phenylthieno[2,3-b]pyridin-3-amine
CID 167341493
2-cyclobutylsulfinyl-6-pyrimidin-5-yl-4-[4-(trifluoromethyl)phenyl]thieno[2,3-b]pyridin-3-amine
CID 176759637
2-[[5-[3-amino-2-cyclobutylsulfinyl-4-[4-(trifluoromethyl)phenyl]thieno[2,3-b]pyridin-6-yl]pyrimidin-2-yl]amino]ethanol
CID 167341504
[3-amino-4-(1-methylimidazol-4-yl)-6-pyrimidin-5-ylthieno[2,3-b]pyridin-2-yl]-cyclobutylmethanone
CID 167341606
6-(2-aminopyrimidin-5-yl)-2-butylsulfinyl-4-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine
CID 159548372
6-(2-aminopyrimidin-5-yl)-2-[(R)-2-methoxyethylsulfinyl]-4-[4-(trifluoromethyl)phenyl]thieno[2,3-b]pyridin-3-amine
CID 176759636
[3-amino-4-(1-methylimidazol-4-yl)-6-pyrimidin-5-ylthieno[2,3-b]pyridin-2-yl]-cyclobutyl-hydroxysulfanium
CID 170737931
2-(2-aminopyrimidin-5-yl)-6-(2-methoxyethylsulfinyl)-4-(1-methylpyrazol-4-yl)thieno[2,3-d]pyrimidin-5-amine
CID 167341551

Frequently Asked Questions

What is the IUPAC name of 6-(2-aminopyrimidin-5-yl)-2-[(R)-cyclobutylsulfinyl]-4-[3-(dimethylamino)-1-methylpyrazol-5-yl]thieno[2,3-b]pyridin-3-amine?
The IUPAC name of 6-(2-aminopyrimidin-5-yl)-2-[(R)-cyclobutylsulfinyl]-4-[3-(dimethylamino)-1-methylpyrazol-5-yl]thieno[2,3-b]pyridin-3-amine (CID 151226161) is 6-(2-aminopyrimidin-5-yl)-2-[(R)-cyclobutylsulfinyl]-4-[3-(dimethylamino)-1-methylpyrazol-5-yl]thieno[2,3-b]pyridin-3-amine.
What is the SMILES notation for 6-(2-aminopyrimidin-5-yl)-2-[(R)-cyclobutylsulfinyl]-4-[3-(dimethylamino)-1-methylpyrazol-5-yl]thieno[2,3-b]pyridin-3-amine?
The canonical SMILES for 6-(2-aminopyrimidin-5-yl)-2-[(R)-cyclobutylsulfinyl]-4-[3-(dimethylamino)-1-methylpyrazol-5-yl]thieno[2,3-b]pyridin-3-amine is CN(C)c1cc(-c2cc(-c3cnc(N)nc3)nc3sc([S@](=O)C4CCC4)c(N)c23)n(C)n1.
What is the InChIKey of 6-(2-aminopyrimidin-5-yl)-2-[(R)-cyclobutylsulfinyl]-4-[3-(dimethylamino)-1-methylpyrazol-5-yl]thieno[2,3-b]pyridin-3-amine?
The InChIKey is NNHWUZUWMOZMCN-JGCGQSQUSA-N. The full InChI is InChI=1S/C21H24N8OS2/c1-28(2)16-8-15(29(3)27-16)13-7-14(11-9-24-21(23)25-10-11)26-19-17(13)18(22)20(31-19)32(30)12-5-4-6-12/h7-10,12H,4-6,22H2,1-3H3,(H2,23,24,25)/t32-/m1/s1.
What are the key properties of 6-(2-aminopyrimidin-5-yl)-2-[(R)-cyclobutylsulfinyl]-4-[3-(dimethylamino)-1-methylpyrazol-5-yl]thieno[2,3-b]pyridin-3-amine?
6-(2-aminopyrimidin-5-yl)-2-[(R)-cyclobutylsulfinyl]-4-[3-(dimethylamino)-1-methylpyrazol-5-yl]thieno[2,3-b]pyridin-3-amine has a molecular weight of 468.61 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminopyrimidin-5-yl)-2-[(R)-cyclobutylsulfinyl]-4-[3-(dimethylamino)-1-methylpyrazol-5-yl]thieno[2,3-b]pyridin-3-amine is sourced from PubChem (CID 151226161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).