2-(2-aminopyrimidin-5-yl)-6-(2-methoxyethylsulfinyl)-4-(1-methylpyrazol-4-yl)thieno[2,3-d]pyrimidin-5-amine

C17H18N8O2S2 — CID 167341551

IUPAC2-(2-aminopyrimidin-5-yl)-6-(2-methoxyethylsulfinyl)-4-(1-methylpyrazol-4-yl)thieno[2,3-d]pyrimidin-5-amine
SMILESCOCCS(=O)c1sc2nc(-c3cnc(N)nc3)nc(-c3cnn(C)c3)c2c1N
InChIInChI=1S/C17H18N8O2S2/c1-25-8-10(7-22-25)13-11-12(18)16(29(26)4-3-27-2)28-15(11)24-14(23-13)9-5-20-17(19)21-6-9/h5-8H,3-4,18H2,1-2H3,(H2,19,20,21)
InChIKeyAGUANWKXECYKCU-UHFFFAOYSA-N
MW430.52 g/mol
LogP1.47
Rot. Bonds6

About 2-(2-aminopyrimidin-5-yl)-6-(2-methoxyethylsulfinyl)-4-(1-methylpyrazol-4-yl)thieno[2,3-d]pyrimidin-5-amine

2-(2-aminopyrimidin-5-yl)-6-(2-methoxyethylsulfinyl)-4-(1-methylpyrazol-4-yl)thieno[2,3-d]pyrimidin-5-amine (PubChem CID 167341551) has the molecular formula C17H18N8O2S2 and a molecular weight of 430.52 g/mol. Its IUPAC name is 2-(2-aminopyrimidin-5-yl)-6-(2-methoxyethylsulfinyl)-4-(1-methylpyrazol-4-yl)thieno[2,3-d]pyrimidin-5-amine.

Molecular Properties

Compound Name2-(2-aminopyrimidin-5-yl)-6-(2-methoxyethylsulfinyl)-4-(1-methylpyrazol-4-yl)thieno[2,3-d]pyrimidin-5-amine
PubChem CID167341551
Molecular FormulaC17H18N8O2S2
Molecular Weight430.52 g/mol
Exact Mass430.10
IUPAC Name2-(2-aminopyrimidin-5-yl)-6-(2-methoxyethylsulfinyl)-4-(1-methylpyrazol-4-yl)thieno[2,3-d]pyrimidin-5-amine
SMILESCOCCS(=O)c1sc2nc(-c3cnc(N)nc3)nc(-c3cnn(C)c3)c2c1N
InChIInChI=1S/C17H18N8O2S2/c1-25-8-10(7-22-25)13-11-12(18)16(29(26)4-3-27-2)28-15(11)24-14(23-13)9-5-20-17(19)21-6-9/h5-8H,3-4,18H2,1-2H3,(H2,19,20,21)
InChIKeyAGUANWKXECYKCU-UHFFFAOYSA-N
XLogP1.47
TPSA147.72 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.52
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

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Related Compounds

6-(2-methoxyethylsulfinyl)-4-phenyl-2-pyrimidin-2-ylthieno[2,3-d]pyrimidin-5-amine
CID 157358243
6-(2-aminopyrimidin-5-yl)-2-cyclobutylsulfinyl-4-(1-methylpyrazol-4-yl)thieno[2,3-b]pyridin-3-amine
CID 167341457
6-butylsulfinyl-2,4-diphenylthieno[2,3-d]pyrimidin-5-amine
CID 90051604
4-(4-fluorophenyl)-2-(2-methoxyethylsulfinyl)-6-[6-(oxetan-3-yl)-3-pyridinyl]thieno[2,3-b]pyridin-3-amine
CID 142485887
2-(2-methoxyethylsulfinyl)-4-(1-methyl-4H-imidazol-1-ium-5-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine
CID 169279919
6-[(S)-butylsulfinyl]-4-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine
CID 142485744
4-[2-[[2-[3-amino-4-(2,3-dimethylimidazol-4-yl)-2-(2-methoxyethylsulfinyl)thieno[2,3-b]pyridin-6-yl]-4-fluoro-1,3-thiazol-5-yl]methyl]-3-methylimidazol-4-yl]-6-(2-methoxyethylsulfinyl)-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine
CID 166737307
4-(2-cyclopropyl-3-methylimidazol-4-yl)-2-(3-methoxypropylsulfinyl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine
CID 118059043
2-butylsulfinyl-4-(4-methyl-1,3-oxazol-5-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-(4-methyl-1,3-thiazol-2-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-(4-methyl-1,3-thiazol-5-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;6-(2-methoxyethylsulfinyl)-4-phenyl-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine;6-(3-methoxypropylsulfinyl)-4-phenyl-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine
CID 159992296
6-(2-aminopyrimidin-5-yl)-2-[(R)-cyclobutylsulfinyl]-4-[3-(dimethylamino)-1-methylpyrazol-5-yl]thieno[2,3-b]pyridin-3-amine
CID 151226161
4-(2-methoxyethoxy)-3-(1-methylpyrazol-4-yl)aniline
CID 165115982
methyl 6-amino-5-chloro-2-(1-methylpyrazol-4-yl)pyrimidine-4-carboxylate
CID 58291728

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopyrimidin-5-yl)-6-(2-methoxyethylsulfinyl)-4-(1-methylpyrazol-4-yl)thieno[2,3-d]pyrimidin-5-amine?
The IUPAC name of 2-(2-aminopyrimidin-5-yl)-6-(2-methoxyethylsulfinyl)-4-(1-methylpyrazol-4-yl)thieno[2,3-d]pyrimidin-5-amine (CID 167341551) is 2-(2-aminopyrimidin-5-yl)-6-(2-methoxyethylsulfinyl)-4-(1-methylpyrazol-4-yl)thieno[2,3-d]pyrimidin-5-amine.
What is the SMILES notation for 2-(2-aminopyrimidin-5-yl)-6-(2-methoxyethylsulfinyl)-4-(1-methylpyrazol-4-yl)thieno[2,3-d]pyrimidin-5-amine?
The canonical SMILES for 2-(2-aminopyrimidin-5-yl)-6-(2-methoxyethylsulfinyl)-4-(1-methylpyrazol-4-yl)thieno[2,3-d]pyrimidin-5-amine is COCCS(=O)c1sc2nc(-c3cnc(N)nc3)nc(-c3cnn(C)c3)c2c1N.
What is the InChIKey of 2-(2-aminopyrimidin-5-yl)-6-(2-methoxyethylsulfinyl)-4-(1-methylpyrazol-4-yl)thieno[2,3-d]pyrimidin-5-amine?
The InChIKey is AGUANWKXECYKCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N8O2S2/c1-25-8-10(7-22-25)13-11-12(18)16(29(26)4-3-27-2)28-15(11)24-14(23-13)9-5-20-17(19)21-6-9/h5-8H,3-4,18H2,1-2H3,(H2,19,20,21).
What are the key properties of 2-(2-aminopyrimidin-5-yl)-6-(2-methoxyethylsulfinyl)-4-(1-methylpyrazol-4-yl)thieno[2,3-d]pyrimidin-5-amine?
2-(2-aminopyrimidin-5-yl)-6-(2-methoxyethylsulfinyl)-4-(1-methylpyrazol-4-yl)thieno[2,3-d]pyrimidin-5-amine has a molecular weight of 430.52 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopyrimidin-5-yl)-6-(2-methoxyethylsulfinyl)-4-(1-methylpyrazol-4-yl)thieno[2,3-d]pyrimidin-5-amine is sourced from PubChem (CID 167341551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).