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

C20H17FN6OS2 — CID 152908602

IUPAC6-(2-aminopyrimidin-5-yl)-2-cyclobutylsulfinyl-4-(5-fluoro-3-pyridinyl)thieno[2,3-b]pyridin-3-amine
SMILESNc1ncc(-c2cc(-c3cncc(F)c3)c3c(N)c(S(=O)C4CCC4)sc3n2)cn1
InChIInChI=1S/C20H17FN6OS2/c21-12-4-10(6-24-9-12)14-5-15(11-7-25-20(23)26-8-11)27-18-16(14)17(22)19(29-18)30(28)13-2-1-3-13/h4-9,13H,1-3,22H2,(H2,23,25,26)
InChIKeyUGTAGZYZGHALAR-UHFFFAOYSA-N
MW440.53 g/mol
LogP3.78
Rot. Bonds4

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

6-(2-aminopyrimidin-5-yl)-2-cyclobutylsulfinyl-4-(5-fluoro-3-pyridinyl)thieno[2,3-b]pyridin-3-amine (PubChem CID 152908602) has the molecular formula C20H17FN6OS2 and a molecular weight of 440.53 g/mol. Its IUPAC name is 6-(2-aminopyrimidin-5-yl)-2-cyclobutylsulfinyl-4-(5-fluoro-3-pyridinyl)thieno[2,3-b]pyridin-3-amine.

Molecular Properties

Compound Name6-(2-aminopyrimidin-5-yl)-2-cyclobutylsulfinyl-4-(5-fluoro-3-pyridinyl)thieno[2,3-b]pyridin-3-amine
PubChem CID152908602
Molecular FormulaC20H17FN6OS2
Molecular Weight440.53 g/mol
Exact Mass440.09
IUPAC Name6-(2-aminopyrimidin-5-yl)-2-cyclobutylsulfinyl-4-(5-fluoro-3-pyridinyl)thieno[2,3-b]pyridin-3-amine
SMILESNc1ncc(-c2cc(-c3cncc(F)c3)c3c(N)c(S(=O)C4CCC4)sc3n2)cn1
InChIInChI=1S/C20H17FN6OS2/c21-12-4-10(6-24-9-12)14-5-15(11-7-25-20(23)26-8-11)27-18-16(14)17(22)19(29-18)30(28)13-2-1-3-13/h4-9,13H,1-3,22H2,(H2,23,25,26)
InChIKeyUGTAGZYZGHALAR-UHFFFAOYSA-N
XLogP3.78
TPSA120.67 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.53
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-(2-aminopyrimidin-5-yl)-2-cyclobutylsulfinyl-4-(5-fluoro-3-pyridinyl)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
2-cyclobutylsulfinyl-6-pyrimidin-5-yl-4-[4-(trifluoromethyl)phenyl]thieno[2,3-b]pyridin-3-amine
CID 176759637
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-cyclobutylsulfinyl-6-[2-(oxan-4-yl)pyrimidin-5-yl]-4-phenylthieno[2,3-b]pyridin-3-amine
CID 167341493
2-[(S)-cyclobutylsulfinyl]-6-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-4-phenylthieno[2,3-b]pyridin-3-amine
CID 167341563
2-[[5-[3-amino-2-cyclobutylsulfinyl-4-[4-(trifluoromethyl)phenyl]thieno[2,3-b]pyridin-6-yl]pyrimidin-2-yl]amino]ethanol
CID 167341504
5-[3-amino-2-[(S)-cyclobutylsulfinyl]-4-(2-methylpyrazol-3-yl)thieno[2,3-b]pyridin-6-yl]-1H-pyrimidin-2-one
CID 167341576
6-(2-aminopyrimidin-5-yl)-2-[(R)-2-methoxyethylsulfinyl]-4-[4-(trifluoromethyl)phenyl]thieno[2,3-b]pyridin-3-amine
CID 176759636
6-(2-aminopyrimidin-5-yl)-2-butylsulfinyl-4-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine
CID 159548372
4-(4-fluorophenyl)-2-(2-methoxyethylsulfinyl)-6-[6-(oxetan-3-yl)-3-pyridinyl]thieno[2,3-b]pyridin-3-amine
CID 142485887
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
2-butylsulfinyl-6-[2-(methylamino)pyrimidin-5-yl]-4-phenylthieno[2,3-b]pyridin-3-amine
CID 142485864

Frequently Asked Questions

What is the IUPAC name of 6-(2-aminopyrimidin-5-yl)-2-cyclobutylsulfinyl-4-(5-fluoro-3-pyridinyl)thieno[2,3-b]pyridin-3-amine?
The IUPAC name of 6-(2-aminopyrimidin-5-yl)-2-cyclobutylsulfinyl-4-(5-fluoro-3-pyridinyl)thieno[2,3-b]pyridin-3-amine (CID 152908602) is 6-(2-aminopyrimidin-5-yl)-2-cyclobutylsulfinyl-4-(5-fluoro-3-pyridinyl)thieno[2,3-b]pyridin-3-amine.
What is the SMILES notation for 6-(2-aminopyrimidin-5-yl)-2-cyclobutylsulfinyl-4-(5-fluoro-3-pyridinyl)thieno[2,3-b]pyridin-3-amine?
The canonical SMILES for 6-(2-aminopyrimidin-5-yl)-2-cyclobutylsulfinyl-4-(5-fluoro-3-pyridinyl)thieno[2,3-b]pyridin-3-amine is Nc1ncc(-c2cc(-c3cncc(F)c3)c3c(N)c(S(=O)C4CCC4)sc3n2)cn1.
What is the InChIKey of 6-(2-aminopyrimidin-5-yl)-2-cyclobutylsulfinyl-4-(5-fluoro-3-pyridinyl)thieno[2,3-b]pyridin-3-amine?
The InChIKey is UGTAGZYZGHALAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN6OS2/c21-12-4-10(6-24-9-12)14-5-15(11-7-25-20(23)26-8-11)27-18-16(14)17(22)19(29-18)30(28)13-2-1-3-13/h4-9,13H,1-3,22H2,(H2,23,25,26).
What are the key properties of 6-(2-aminopyrimidin-5-yl)-2-cyclobutylsulfinyl-4-(5-fluoro-3-pyridinyl)thieno[2,3-b]pyridin-3-amine?
6-(2-aminopyrimidin-5-yl)-2-cyclobutylsulfinyl-4-(5-fluoro-3-pyridinyl)thieno[2,3-b]pyridin-3-amine has a molecular weight of 440.53 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminopyrimidin-5-yl)-2-cyclobutylsulfinyl-4-(5-fluoro-3-pyridinyl)thieno[2,3-b]pyridin-3-amine is sourced from PubChem (CID 152908602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).