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

C19H19N7OS2 — CID 167341457

IUPAC6-(2-aminopyrimidin-5-yl)-2-cyclobutylsulfinyl-4-(1-methylpyrazol-4-yl)thieno[2,3-b]pyridin-3-amine
SMILESCn1cc(-c2cc(-c3cnc(N)nc3)nc3sc(S(=O)C4CCC4)c(N)c23)cn1
InChIInChI=1S/C19H19N7OS2/c1-26-9-11(8-24-26)13-5-14(10-6-22-19(21)23-7-10)25-17-15(13)16(20)18(28-17)29(27)12-3-2-4-12/h5-9,12H,2-4,20H2,1H3,(H2,21,22,23)
InChIKeyWPTPCIFQDSLTBK-UHFFFAOYSA-N
MW425.54 g/mol
LogP2.98
Rot. Bonds4

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

6-(2-aminopyrimidin-5-yl)-2-cyclobutylsulfinyl-4-(1-methylpyrazol-4-yl)thieno[2,3-b]pyridin-3-amine (PubChem CID 167341457) has the molecular formula C19H19N7OS2 and a molecular weight of 425.54 g/mol. Its IUPAC name is 6-(2-aminopyrimidin-5-yl)-2-cyclobutylsulfinyl-4-(1-methylpyrazol-4-yl)thieno[2,3-b]pyridin-3-amine.

Molecular Properties

Compound Name6-(2-aminopyrimidin-5-yl)-2-cyclobutylsulfinyl-4-(1-methylpyrazol-4-yl)thieno[2,3-b]pyridin-3-amine
PubChem CID167341457
Molecular FormulaC19H19N7OS2
Molecular Weight425.54 g/mol
Exact Mass425.11
IUPAC Name6-(2-aminopyrimidin-5-yl)-2-cyclobutylsulfinyl-4-(1-methylpyrazol-4-yl)thieno[2,3-b]pyridin-3-amine
SMILESCn1cc(-c2cc(-c3cnc(N)nc3)nc3sc(S(=O)C4CCC4)c(N)c23)cn1
InChIInChI=1S/C19H19N7OS2/c1-26-9-11(8-24-26)13-5-14(10-6-22-19(21)23-7-10)25-17-15(13)16(20)18(28-17)29(27)12-3-2-4-12/h5-9,12H,2-4,20H2,1H3,(H2,21,22,23)
InChIKeyWPTPCIFQDSLTBK-UHFFFAOYSA-N
XLogP2.98
TPSA125.60 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.54
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

6-(2-aminopyrimidin-5-yl)-2-cyclobutylsulfinyl-4-(5-fluoro-3-pyridinyl)thieno[2,3-b]pyridin-3-amine
CID 152908602
6-(2-aminopyrimidin-5-yl)-2-[(R)-cyclobutylsulfinyl]-4-[3-(dimethylamino)-1-methylpyrazol-5-yl]thieno[2,3-b]pyridin-3-amine
CID 151226161
2-[(S)-cyclobutylsulfinyl]-6-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-4-phenylthieno[2,3-b]pyridin-3-amine
CID 167341563
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-cyclobutylsulfinyl-6-[2-(oxan-4-yl)pyrimidin-5-yl]-4-phenylthieno[2,3-b]pyridin-3-amine
CID 167341493
2-(2-aminopyrimidin-5-yl)-6-(2-methoxyethylsulfinyl)-4-(1-methylpyrazol-4-yl)thieno[2,3-d]pyrimidin-5-amine
CID 167341551
[3-amino-4-(1-methylimidazol-4-yl)-6-pyrimidin-5-ylthieno[2,3-b]pyridin-2-yl]-cyclobutylmethanone
CID 167341606
3-amino-4-(1-methylpyrazol-4-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19618148
[3-amino-4-(1-methylimidazol-4-yl)-6-pyrimidin-5-ylthieno[2,3-b]pyridin-2-yl]-cyclobutyl-hydroxysulfanium
CID 170737931
6-(2-aminopyrimidin-5-yl)-2-[(S)-3-methoxypropylsulfinyl]-4-phenylthieno[2,3-b]pyridin-3-amine;6-(2-methoxyethylsulfinyl)-4-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine;6-(3-methoxypropylsulfinyl)-4-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine;6-[(S)-3-methoxypropylsulfinyl]-4-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine;6-[(R)-3-methoxypropylsulfinyl]-4-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine
CID 158653266
5-(3-amino-2-cyclobutylsulfanyl-4-phenylthieno[2,3-b]pyridin-6-yl)-N-methylpyrimidine-2-carboxamide
CID 162728487
4-(4-fluorophenyl)-2-(2-methoxyethylsulfinyl)-6-[6-(oxetan-3-yl)-3-pyridinyl]thieno[2,3-b]pyridin-3-amine
CID 142485887

Frequently Asked Questions

What is the IUPAC name of 6-(2-aminopyrimidin-5-yl)-2-cyclobutylsulfinyl-4-(1-methylpyrazol-4-yl)thieno[2,3-b]pyridin-3-amine?
The IUPAC name of 6-(2-aminopyrimidin-5-yl)-2-cyclobutylsulfinyl-4-(1-methylpyrazol-4-yl)thieno[2,3-b]pyridin-3-amine (CID 167341457) is 6-(2-aminopyrimidin-5-yl)-2-cyclobutylsulfinyl-4-(1-methylpyrazol-4-yl)thieno[2,3-b]pyridin-3-amine.
What is the SMILES notation for 6-(2-aminopyrimidin-5-yl)-2-cyclobutylsulfinyl-4-(1-methylpyrazol-4-yl)thieno[2,3-b]pyridin-3-amine?
The canonical SMILES for 6-(2-aminopyrimidin-5-yl)-2-cyclobutylsulfinyl-4-(1-methylpyrazol-4-yl)thieno[2,3-b]pyridin-3-amine is Cn1cc(-c2cc(-c3cnc(N)nc3)nc3sc(S(=O)C4CCC4)c(N)c23)cn1.
What is the InChIKey of 6-(2-aminopyrimidin-5-yl)-2-cyclobutylsulfinyl-4-(1-methylpyrazol-4-yl)thieno[2,3-b]pyridin-3-amine?
The InChIKey is WPTPCIFQDSLTBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7OS2/c1-26-9-11(8-24-26)13-5-14(10-6-22-19(21)23-7-10)25-17-15(13)16(20)18(28-17)29(27)12-3-2-4-12/h5-9,12H,2-4,20H2,1H3,(H2,21,22,23).
What are the key properties of 6-(2-aminopyrimidin-5-yl)-2-cyclobutylsulfinyl-4-(1-methylpyrazol-4-yl)thieno[2,3-b]pyridin-3-amine?
6-(2-aminopyrimidin-5-yl)-2-cyclobutylsulfinyl-4-(1-methylpyrazol-4-yl)thieno[2,3-b]pyridin-3-amine has a molecular weight of 425.54 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminopyrimidin-5-yl)-2-cyclobutylsulfinyl-4-(1-methylpyrazol-4-yl)thieno[2,3-b]pyridin-3-amine is sourced from PubChem (CID 167341457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).