1-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethenol

C16H16N6O2S — CID 89235079

IUPAC1-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethenol
SMILESC=C(O)c1cc2nc(-c3cnc(N)nc3)nc(N3CCOCC3)c2s1
InChIInChI=1S/C16H16N6O2S/c1-9(23)12-6-11-13(25-12)15(22-2-4-24-5-3-22)21-14(20-11)10-7-18-16(17)19-8-10/h6-8,23H,1-5H2,(H2,17,18,19)
InChIKeyQZFMAYHHDOEVEI-UHFFFAOYSA-N
MW356.41 g/mol
LogP2.10
Rot. Bonds3

About 1-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethenol

1-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethenol (PubChem CID 89235079) has the molecular formula C16H16N6O2S and a molecular weight of 356.41 g/mol. Its IUPAC name is 1-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethenol.

Molecular Properties

Compound Name1-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethenol
PubChem CID89235079
Molecular FormulaC16H16N6O2S
Molecular Weight356.41 g/mol
Exact Mass356.11
IUPAC Name1-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethenol
SMILESC=C(O)c1cc2nc(-c3cnc(N)nc3)nc(N3CCOCC3)c2s1
InChIInChI=1S/C16H16N6O2S/c1-9(23)12-6-11-13(25-12)15(22-2-4-24-5-3-22)21-14(20-11)10-7-18-16(17)19-8-10/h6-8,23H,1-5H2,(H2,17,18,19)
InChIKeyQZFMAYHHDOEVEI-UHFFFAOYSA-N
XLogP2.10
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.41
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

3-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]benzoic acid
CID 25109374
5-[4-morpholin-4-yl-6-(thiomorpholin-4-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine
CID 66934113
5-[6-(2-fluoro-4-pyridinyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine
CID 59829258
1-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-4-methylpiperidin-4-ol
CID 24946704
1-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl-methylamino]-2-methylpropan-2-ol
CID 59829302
5-[6-(3-methoxyprop-1-enyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine
CID 69045124
5-[4-morpholin-4-yl-6-(1-piperazin-1-ylethyl)thieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine
CID 143690177
4-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-1-methylsulfinylpiperidin-4-ol
CID 143694962
N-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylethanesulfonamide
CID 59829265
5-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine
CID 46180604
5-[4-morpholin-4-yl-6-[3-(2H-tetrazol-5-yl)phenyl]thieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine
CID 25109321
2-[4-[5-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-2-pyridinyl]piperazin-1-yl]ethanol
CID 59829471

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethenol?
The IUPAC name of 1-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethenol (CID 89235079) is 1-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethenol.
What is the SMILES notation for 1-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethenol?
The canonical SMILES for 1-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethenol is C=C(O)c1cc2nc(-c3cnc(N)nc3)nc(N3CCOCC3)c2s1.
What is the InChIKey of 1-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethenol?
The InChIKey is QZFMAYHHDOEVEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O2S/c1-9(23)12-6-11-13(25-12)15(22-2-4-24-5-3-22)21-14(20-11)10-7-18-16(17)19-8-10/h6-8,23H,1-5H2,(H2,17,18,19).
What are the key properties of 1-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethenol?
1-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethenol has a molecular weight of 356.41 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethenol is sourced from PubChem (CID 89235079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).