2-[2-(1H-indol-6-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]propan-2-ol

C21H22N4O2S — CID 59593089

IUPAC2-[2-(1H-indol-6-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]propan-2-ol
SMILESCC(C)(O)c1cc2nc(-c3ccc4cc[nH]c4c3)nc(N3CCOCC3)c2s1
InChIInChI=1S/C21H22N4O2S/c1-21(2,26)17-12-16-18(28-17)20(25-7-9-27-10-8-25)24-19(23-16)14-4-3-13-5-6-22-15(13)11-14/h3-6,11-12,22,26H,7-10H2,1-2H3
InChIKeyOVKKSLJAZQJVGU-UHFFFAOYSA-N
MW394.50 g/mol
LogP3.90
Rot. Bonds3

About 2-[2-(1H-indol-6-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]propan-2-ol

2-[2-(1H-indol-6-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]propan-2-ol (PubChem CID 59593089) has the molecular formula C21H22N4O2S and a molecular weight of 394.50 g/mol. Its IUPAC name is 2-[2-(1H-indol-6-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]propan-2-ol.

Molecular Properties

Compound Name2-[2-(1H-indol-6-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]propan-2-ol
PubChem CID59593089
Molecular FormulaC21H22N4O2S
Molecular Weight394.50 g/mol
Exact Mass394.15
IUPAC Name2-[2-(1H-indol-6-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]propan-2-ol
SMILESCC(C)(O)c1cc2nc(-c3ccc4cc[nH]c4c3)nc(N3CCOCC3)c2s1
InChIInChI=1S/C21H22N4O2S/c1-21(2,26)17-12-16-18(28-17)20(25-7-9-27-10-8-25)24-19(23-16)14-4-3-13-5-6-22-15(13)11-14/h3-6,11-12,22,26H,7-10H2,1-2H3
InChIKeyOVKKSLJAZQJVGU-UHFFFAOYSA-N
XLogP3.90
TPSA74.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[2-(1H-indol-6-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]propan-2-ol with MolForge

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Related Compounds

4-[2-chloro-6-(1H-indol-6-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 87689923
2-[2-(5-methoxy-3-pyridinyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]propan-2-ol
CID 59829481
2-[2-(2-amino-1,3-thiazol-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]propan-2-ol
CID 59829277
4-[2-(1H-indol-6-yl)-7H-purin-6-yl]morpholine
CID 46225260
2-[4-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrrolo[2,3-d]pyridazin-4-yl)thieno[3,2-d]pyrimidin-6-yl]propan-2-ol
CID 167270098
N-methyl-1-[4-morpholin-4-yl-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)thieno[3,2-d]pyrimidin-6-yl]methanamine
CID 59592837
4-[6-chloro-2-(1H-indol-5-yl)-5-methylsulfanylpyrimidin-4-yl]morpholine
CID 87344835
2-(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)-1-methoxypropan-2-ol
CID 86624221
(1R)-1-(2-hydroxyethylamino)-1-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethanol
CID 71156805
ethyl 2-[2-[2-(4-aminophenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]propan-2-ylamino]pyrimidine-5-carboxylate
CID 66977876
4-[2-(2-methyl-3H-benzimidazol-5-yl)-6-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 24995106
4-[6-[(4-ethylpiperazin-1-yl)methyl]-2-(5-fluoro-1H-indol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 70957269

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1H-indol-6-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]propan-2-ol?
The IUPAC name of 2-[2-(1H-indol-6-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]propan-2-ol (CID 59593089) is 2-[2-(1H-indol-6-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]propan-2-ol.
What is the SMILES notation for 2-[2-(1H-indol-6-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]propan-2-ol?
The canonical SMILES for 2-[2-(1H-indol-6-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]propan-2-ol is CC(C)(O)c1cc2nc(-c3ccc4cc[nH]c4c3)nc(N3CCOCC3)c2s1.
What is the InChIKey of 2-[2-(1H-indol-6-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]propan-2-ol?
The InChIKey is OVKKSLJAZQJVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2S/c1-21(2,26)17-12-16-18(28-17)20(25-7-9-27-10-8-25)24-19(23-16)14-4-3-13-5-6-22-15(13)11-14/h3-6,11-12,22,26H,7-10H2,1-2H3.
What are the key properties of 2-[2-(1H-indol-6-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]propan-2-ol?
2-[2-(1H-indol-6-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]propan-2-ol has a molecular weight of 394.50 g/mol, XLogP of 3.90, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1H-indol-6-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]propan-2-ol is sourced from PubChem (CID 59593089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).