[3-amino-6-(1-methyl-6-oxopyrimidin-4-yl)-4-propan-2-ylthieno[2,3-b]pyridin-2-yl]-cyclobutyl-hydroxysulfanium

C19H23N4O2S2+ — CID 168803163

IUPAC[3-amino-6-(1-methyl-6-oxopyrimidin-4-yl)-4-propan-2-ylthieno[2,3-b]pyridin-2-yl]-cyclobutyl-hydroxysulfanium
SMILESCC(C)c1cc(-c2cc(=O)n(C)cn2)nc2sc([S+](O)C3CCC3)c(N)c12
InChIInChI=1S/C19H23N4O2S2/c1-10(2)12-7-14(13-8-15(24)23(3)9-21-13)22-18-16(12)17(20)19(26-18)27(25)11-5-4-6-11/h7-11,25H,4-6,20H2,1-3H3/q+1
InChIKeyOZHJNCXTVNQLKO-UHFFFAOYSA-N
MW403.55 g/mol
LogP3.77
Rot. Bonds4

About [3-amino-6-(1-methyl-6-oxopyrimidin-4-yl)-4-propan-2-ylthieno[2,3-b]pyridin-2-yl]-cyclobutyl-hydroxysulfanium

[3-amino-6-(1-methyl-6-oxopyrimidin-4-yl)-4-propan-2-ylthieno[2,3-b]pyridin-2-yl]-cyclobutyl-hydroxysulfanium (PubChem CID 168803163) has the molecular formula C19H23N4O2S2+ and a molecular weight of 403.55 g/mol. Its IUPAC name is [3-amino-6-(1-methyl-6-oxopyrimidin-4-yl)-4-propan-2-ylthieno[2,3-b]pyridin-2-yl]-cyclobutyl-hydroxysulfanium.

Molecular Properties

Compound Name[3-amino-6-(1-methyl-6-oxopyrimidin-4-yl)-4-propan-2-ylthieno[2,3-b]pyridin-2-yl]-cyclobutyl-hydroxysulfanium
PubChem CID168803163
Molecular FormulaC19H23N4O2S2+
Molecular Weight403.55 g/mol
Exact Mass403.13
IUPAC Name[3-amino-6-(1-methyl-6-oxopyrimidin-4-yl)-4-propan-2-ylthieno[2,3-b]pyridin-2-yl]-cyclobutyl-hydroxysulfanium
SMILESCC(C)c1cc(-c2cc(=O)n(C)cn2)nc2sc([S+](O)C3CCC3)c(N)c12
InChIInChI=1S/C19H23N4O2S2/c1-10(2)12-7-14(13-8-15(24)23(3)9-21-13)22-18-16(12)17(20)19(26-18)27(25)11-5-4-6-11/h7-11,25H,4-6,20H2,1-3H3/q+1
InChIKeyOZHJNCXTVNQLKO-UHFFFAOYSA-N
XLogP3.77
TPSA94.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.55
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [3-amino-6-(1-methyl-6-oxopyrimidin-4-yl)-4-propan-2-ylthieno[2,3-b]pyridin-2-yl]-cyclobutyl-hydroxysulfanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-amino-4-(1-methylimidazol-4-yl)-6-pyrimidin-5-ylthieno[2,3-b]pyridin-2-yl]-cyclobutyl-hydroxysulfanium
CID 170737931
[3-amino-6-[2-[[4-[5-[3-amino-2-(2-methoxyethylsulfinyl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-6-yl]pyrimidin-2-yl]morpholin-2-yl]methyl]pyrazolo[3,4-b]pyridin-5-yl]-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-cyclobutyl-hydroxysulfanium
CID 162616164
ethane;3-methyl-6-(propan-2-ylamino)pyrimidin-4-one
CID 169237699
6-amino-3-methylpyrimidin-4-one;ethane
CID 155738630
[3-amino-4-(1-methylimidazol-4-yl)-6-pyrimidin-5-ylthieno[2,3-b]pyridin-2-yl]-cyclobutylmethanone
CID 167341606
6-(cyclobutylmethoxy)-3-methylpyrimidin-4-one
CID 126954677
3-methyl-6-[3-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]pyrimidin-4-one
CID 166600731
(2-amino-1,3-benzothiazol-5-yl)-[(3R)-3-(4-propan-2-ylanilino)piperidin-1-yl]methanone
CID 42098998
2-cyclobutyl-6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridine;methanol
CID 172582685
3-methyl-6-(1-phenylpyrrolidin-2-yl)pyrimidin-4-one
CID 57267581
6-(2-aminopyrimidin-5-yl)-2-cyclobutylsulfinyl-4-(1-methylpyrazol-4-yl)thieno[2,3-b]pyridin-3-amine
CID 167341457
5-(cyclopropylamino)-3-methyl-7-(4-propan-2-ylphenyl)pyrido[4,3-d]pyrimidin-4-one
CID 66959853

Frequently Asked Questions

What is the IUPAC name of [3-amino-6-(1-methyl-6-oxopyrimidin-4-yl)-4-propan-2-ylthieno[2,3-b]pyridin-2-yl]-cyclobutyl-hydroxysulfanium?
The IUPAC name of [3-amino-6-(1-methyl-6-oxopyrimidin-4-yl)-4-propan-2-ylthieno[2,3-b]pyridin-2-yl]-cyclobutyl-hydroxysulfanium (CID 168803163) is [3-amino-6-(1-methyl-6-oxopyrimidin-4-yl)-4-propan-2-ylthieno[2,3-b]pyridin-2-yl]-cyclobutyl-hydroxysulfanium.
What is the SMILES notation for [3-amino-6-(1-methyl-6-oxopyrimidin-4-yl)-4-propan-2-ylthieno[2,3-b]pyridin-2-yl]-cyclobutyl-hydroxysulfanium?
The canonical SMILES for [3-amino-6-(1-methyl-6-oxopyrimidin-4-yl)-4-propan-2-ylthieno[2,3-b]pyridin-2-yl]-cyclobutyl-hydroxysulfanium is CC(C)c1cc(-c2cc(=O)n(C)cn2)nc2sc([S+](O)C3CCC3)c(N)c12.
What is the InChIKey of [3-amino-6-(1-methyl-6-oxopyrimidin-4-yl)-4-propan-2-ylthieno[2,3-b]pyridin-2-yl]-cyclobutyl-hydroxysulfanium?
The InChIKey is OZHJNCXTVNQLKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N4O2S2/c1-10(2)12-7-14(13-8-15(24)23(3)9-21-13)22-18-16(12)17(20)19(26-18)27(25)11-5-4-6-11/h7-11,25H,4-6,20H2,1-3H3/q+1.
What are the key properties of [3-amino-6-(1-methyl-6-oxopyrimidin-4-yl)-4-propan-2-ylthieno[2,3-b]pyridin-2-yl]-cyclobutyl-hydroxysulfanium?
[3-amino-6-(1-methyl-6-oxopyrimidin-4-yl)-4-propan-2-ylthieno[2,3-b]pyridin-2-yl]-cyclobutyl-hydroxysulfanium has a molecular weight of 403.55 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-6-(1-methyl-6-oxopyrimidin-4-yl)-4-propan-2-ylthieno[2,3-b]pyridin-2-yl]-cyclobutyl-hydroxysulfanium is sourced from PubChem (CID 168803163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).