2-[2-(2-amino-1,3-thiazol-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]propan-2-ol

C16H19N5O2S2 — CID 59829277

IUPAC2-[2-(2-amino-1,3-thiazol-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]propan-2-ol
SMILESCC(C)(O)c1cc2nc(-c3cnc(N)s3)nc(N3CCOCC3)c2s1
InChIInChI=1S/C16H19N5O2S2/c1-16(2,22)11-7-9-12(25-11)14(21-3-5-23-6-4-21)20-13(19-9)10-8-18-15(17)24-10/h7-8,22H,3-6H2,1-2H3,(H2,17,18)
InChIKeyJJALFTHLLNWBCV-UHFFFAOYSA-N
MW377.50 g/mol
LogP2.46
Rot. Bonds3

About 2-[2-(2-amino-1,3-thiazol-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]propan-2-ol

2-[2-(2-amino-1,3-thiazol-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]propan-2-ol (PubChem CID 59829277) has the molecular formula C16H19N5O2S2 and a molecular weight of 377.50 g/mol. Its IUPAC name is 2-[2-(2-amino-1,3-thiazol-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]propan-2-ol.

Molecular Properties

Compound Name2-[2-(2-amino-1,3-thiazol-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]propan-2-ol
PubChem CID59829277
Molecular FormulaC16H19N5O2S2
Molecular Weight377.50 g/mol
Exact Mass377.10
IUPAC Name2-[2-(2-amino-1,3-thiazol-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]propan-2-ol
SMILESCC(C)(O)c1cc2nc(-c3cnc(N)s3)nc(N3CCOCC3)c2s1
InChIInChI=1S/C16H19N5O2S2/c1-16(2,22)11-7-9-12(25-11)14(21-3-5-23-6-4-21)20-13(19-9)10-8-18-15(17)24-10/h7-8,22H,3-6H2,1-2H3,(H2,17,18)
InChIKeyJJALFTHLLNWBCV-UHFFFAOYSA-N
XLogP2.46
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.50
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

2-[2-(5-methoxy-3-pyridinyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]propan-2-ol
CID 59829481
2-[2-(1H-indol-6-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]propan-2-ol
CID 59593089
1-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl-methylamino]-2-methylpropan-2-ol
CID 59829302
ethyl 2-[2-[2-(4-aminophenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]propan-2-ylamino]pyrimidine-5-carboxylate
CID 66977876
3-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]benzoic acid
CID 25109374
1-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethenol
CID 89235079
2-(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)-1-methoxypropan-2-ol
CID 86624221
(2R)-1-[[5-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-2-pyridinyl]amino]propan-2-ol
CID 59829487
5-[6-(2-fluoro-4-pyridinyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine
CID 59829258
tert-butyl N-[1-[6-(2-hydroxypropan-2-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]carbamate;ethane
CID 145317694
5-[4-morpholin-4-yl-6-(1-piperazin-1-ylethyl)thieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine
CID 143690177
1-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-4-methylpiperidin-4-ol
CID 24946704

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-amino-1,3-thiazol-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]propan-2-ol?
The IUPAC name of 2-[2-(2-amino-1,3-thiazol-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]propan-2-ol (CID 59829277) is 2-[2-(2-amino-1,3-thiazol-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]propan-2-ol.
What is the SMILES notation for 2-[2-(2-amino-1,3-thiazol-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]propan-2-ol?
The canonical SMILES for 2-[2-(2-amino-1,3-thiazol-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]propan-2-ol is CC(C)(O)c1cc2nc(-c3cnc(N)s3)nc(N3CCOCC3)c2s1.
What is the InChIKey of 2-[2-(2-amino-1,3-thiazol-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]propan-2-ol?
The InChIKey is JJALFTHLLNWBCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2S2/c1-16(2,22)11-7-9-12(25-11)14(21-3-5-23-6-4-21)20-13(19-9)10-8-18-15(17)24-10/h7-8,22H,3-6H2,1-2H3,(H2,17,18).
What are the key properties of 2-[2-(2-amino-1,3-thiazol-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]propan-2-ol?
2-[2-(2-amino-1,3-thiazol-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]propan-2-ol has a molecular weight of 377.50 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-amino-1,3-thiazol-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]propan-2-ol is sourced from PubChem (CID 59829277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).