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

C21H22N4O2S — CID 67192106

IUPAC2-[2-[2-(1H-indol-6-yl)morpholin-4-yl]thieno[3,2-d]pyrimidin-6-yl]propan-2-ol
SMILESCC(C)(O)c1cc2nc(N3CCOC(c4ccc5cc[nH]c5c4)C3)ncc2s1
InChIInChI=1S/C21H22N4O2S/c1-21(2,26)19-10-16-18(28-19)11-23-20(24-16)25-7-8-27-17(12-25)14-4-3-13-5-6-22-15(13)9-14/h3-6,9-11,17,22,26H,7-8,12H2,1-2H3
InChIKeyIKBYKWKECWZKHH-UHFFFAOYSA-N
MW394.50 g/mol
LogP3.98
Rot. Bonds3

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

2-[2-[2-(1H-indol-6-yl)morpholin-4-yl]thieno[3,2-d]pyrimidin-6-yl]propan-2-ol (PubChem CID 67192106) has the molecular formula C21H22N4O2S and a molecular weight of 394.50 g/mol. Its IUPAC name is 2-[2-[2-(1H-indol-6-yl)morpholin-4-yl]thieno[3,2-d]pyrimidin-6-yl]propan-2-ol.

Molecular Properties

Compound Name2-[2-[2-(1H-indol-6-yl)morpholin-4-yl]thieno[3,2-d]pyrimidin-6-yl]propan-2-ol
PubChem CID67192106
Molecular FormulaC21H22N4O2S
Molecular Weight394.50 g/mol
Exact Mass394.15
IUPAC Name2-[2-[2-(1H-indol-6-yl)morpholin-4-yl]thieno[3,2-d]pyrimidin-6-yl]propan-2-ol
SMILESCC(C)(O)c1cc2nc(N3CCOC(c4ccc5cc[nH]c5c4)C3)ncc2s1
InChIInChI=1S/C21H22N4O2S/c1-21(2,26)19-10-16-18(28-19)11-23-20(24-16)25-7-8-27-17(12-25)14-4-3-13-5-6-22-15(13)9-14/h3-6,9-11,17,22,26H,7-8,12H2,1-2H3
InChIKeyIKBYKWKECWZKHH-UHFFFAOYSA-N
XLogP3.98
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 ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[2-(2-aminopyrimidin-5-yl)morpholin-4-yl]thieno[3,2-d]pyrimidin-6-yl]-(4-methylpiperazin-1-yl)methanone
CID 25109712
[3-[2-[2-(2-aminopyrimidin-5-yl)morpholin-4-yl]thieno[3,2-d]pyrimidin-6-yl]phenyl]-morpholin-4-ylmethanone
CID 25109433
2-(1H-indol-5-yl)-4-(1H-pyrazol-4-yl)morpholine
CID 141218979
5-[2-[2-(1H-indazol-4-yl)morpholin-4-yl]thieno[3,2-d]pyrimidin-6-yl]pyridine-3-carboxylic acid
CID 67188204
N-[[2-[2-(1H-indazol-4-yl)morpholin-4-yl]thieno[3,2-d]pyrimidin-6-yl]methyl]-4-methoxyaniline
CID 67188858
2-[2-(1H-indazol-4-yl)morpholin-4-yl]thieno[3,2-d]pyrimidine-6-carbonitrile
CID 67191030
2-(dimethylamino)-N-[[2-[2-(1H-indazol-4-yl)morpholin-4-yl]thieno[3,2-d]pyrimidin-6-yl]methyl]acetamide
CID 67189341
(2S)-2-hydroxy-1-[4-[[2-[2-(1H-indazol-4-yl)morpholin-4-yl]thieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]propan-1-one
CID 69093503
4-(5-methylpyrimidin-2-yl)-2-[4-(trifluoromethyl)phenyl]morpholine
CID 133449879
N-[[2-[2-(1H-indazol-4-yl)morpholin-4-yl]thieno[3,2-d]pyrimidin-6-yl]methyl]-4-morpholin-4-ylaniline
CID 67189354
2-[[2-[2-(6-acetamido-3-pyridinyl)morpholin-4-yl]thieno[3,2-d]pyrimidin-6-yl]methyl-methylamino]-N-hydroxypyrimidine-5-carboxamide
CID 87286133
ethyl 2-[methyl-[[2-[2-(2-methylpyrimidin-5-yl)morpholin-4-yl]thieno[3,2-d]pyrimidin-6-yl]methyl]amino]pyrimidine-5-carboxylate
CID 67146191

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(1H-indol-6-yl)morpholin-4-yl]thieno[3,2-d]pyrimidin-6-yl]propan-2-ol?
The IUPAC name of 2-[2-[2-(1H-indol-6-yl)morpholin-4-yl]thieno[3,2-d]pyrimidin-6-yl]propan-2-ol (CID 67192106) is 2-[2-[2-(1H-indol-6-yl)morpholin-4-yl]thieno[3,2-d]pyrimidin-6-yl]propan-2-ol.
What is the SMILES notation for 2-[2-[2-(1H-indol-6-yl)morpholin-4-yl]thieno[3,2-d]pyrimidin-6-yl]propan-2-ol?
The canonical SMILES for 2-[2-[2-(1H-indol-6-yl)morpholin-4-yl]thieno[3,2-d]pyrimidin-6-yl]propan-2-ol is CC(C)(O)c1cc2nc(N3CCOC(c4ccc5cc[nH]c5c4)C3)ncc2s1.
What is the InChIKey of 2-[2-[2-(1H-indol-6-yl)morpholin-4-yl]thieno[3,2-d]pyrimidin-6-yl]propan-2-ol?
The InChIKey is IKBYKWKECWZKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2S/c1-21(2,26)19-10-16-18(28-19)11-23-20(24-16)25-7-8-27-17(12-25)14-4-3-13-5-6-22-15(13)9-14/h3-6,9-11,17,22,26H,7-8,12H2,1-2H3.
What are the key properties of 2-[2-[2-(1H-indol-6-yl)morpholin-4-yl]thieno[3,2-d]pyrimidin-6-yl]propan-2-ol?
2-[2-[2-(1H-indol-6-yl)morpholin-4-yl]thieno[3,2-d]pyrimidin-6-yl]propan-2-ol has a molecular weight of 394.50 g/mol, XLogP of 3.98, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(1H-indol-6-yl)morpholin-4-yl]thieno[3,2-d]pyrimidin-6-yl]propan-2-ol is sourced from PubChem (CID 67192106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).