[2-(2-ethyl-3-hydrazinylphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-(4-methylsulfanylphenyl)methanol

C26H29N5O2S2 — CID 143572344

IUPAC[2-(2-ethyl-3-hydrazinylphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-(4-methylsulfanylphenyl)methanol
SMILESCCc1c(NN)cccc1-c1nc(N2CCOCC2)c2sc(C(O)c3ccc(SC)cc3)cc2n1
InChIInChI=1S/C26H29N5O2S2/c1-3-18-19(5-4-6-20(18)30-27)25-28-21-15-22(23(32)16-7-9-17(34-2)10-8-16)35-24(21)26(29-25)31-11-13-33-14-12-31/h4-10,15,23,30,32H,3,11-14,27H2,1-2H3
InChIKeyVQOMUMFMUSGBJA-UHFFFAOYSA-N
MW507.69 g/mol
LogP4.85
Rot. Bonds7

About [2-(2-ethyl-3-hydrazinylphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-(4-methylsulfanylphenyl)methanol

[2-(2-ethyl-3-hydrazinylphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-(4-methylsulfanylphenyl)methanol (PubChem CID 143572344) has the molecular formula C26H29N5O2S2 and a molecular weight of 507.69 g/mol. Its IUPAC name is [2-(2-ethyl-3-hydrazinylphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-(4-methylsulfanylphenyl)methanol.

Molecular Properties

Compound Name[2-(2-ethyl-3-hydrazinylphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-(4-methylsulfanylphenyl)methanol
PubChem CID143572344
Molecular FormulaC26H29N5O2S2
Molecular Weight507.69 g/mol
Exact Mass507.18
IUPAC Name[2-(2-ethyl-3-hydrazinylphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-(4-methylsulfanylphenyl)methanol
SMILESCCc1c(NN)cccc1-c1nc(N2CCOCC2)c2sc(C(O)c3ccc(SC)cc3)cc2n1
InChIInChI=1S/C26H29N5O2S2/c1-3-18-19(5-4-6-20(18)30-27)25-28-21-15-22(23(32)16-7-9-17(34-2)10-8-16)35-24(21)26(29-25)31-11-13-33-14-12-31/h4-10,15,23,30,32H,3,11-14,27H2,1-2H3
InChIKeyVQOMUMFMUSGBJA-UHFFFAOYSA-N
XLogP4.85
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.69
LogP ≤ 54.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)-(4-methylsulfonylphenyl)methanol
CID 86618454
bis[2-ethyl-3-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenyl] carbonate
CID 163206677
(2S)-1-[3-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]phenyl]sulfanylpropan-2-ol
CID 67190113
3-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-N,N-dimethylpropan-1-amine
CID 130267909
4-[2-(6-fluoro-1H-indol-4-yl)-6-(1-piperazin-1-ylbutyl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 91556339
3-[2-(3-amino-2-methanimidoylphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-N-ethylbenzamide
CID 130241905
4-[2-(1H-indazol-4-yl)-6-[1-(4-methylsulfonylpiperazin-1-yl)ethyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 59593168
ethyl 7-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methylamino]heptanoate
CID 66977493
5-[4-morpholin-4-yl-6-(1-piperazin-1-ylethyl)thieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine
CID 143690177
4-[6-ethenyl-2-(1H-indazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 70310200
4-[6-chloro-2-(1H-indazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 59592910
N-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]methanesulfonamide
CID 59592859

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethyl-3-hydrazinylphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-(4-methylsulfanylphenyl)methanol?
The IUPAC name of [2-(2-ethyl-3-hydrazinylphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-(4-methylsulfanylphenyl)methanol (CID 143572344) is [2-(2-ethyl-3-hydrazinylphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-(4-methylsulfanylphenyl)methanol.
What is the SMILES notation for [2-(2-ethyl-3-hydrazinylphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-(4-methylsulfanylphenyl)methanol?
The canonical SMILES for [2-(2-ethyl-3-hydrazinylphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-(4-methylsulfanylphenyl)methanol is CCc1c(NN)cccc1-c1nc(N2CCOCC2)c2sc(C(O)c3ccc(SC)cc3)cc2n1.
What is the InChIKey of [2-(2-ethyl-3-hydrazinylphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-(4-methylsulfanylphenyl)methanol?
The InChIKey is VQOMUMFMUSGBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O2S2/c1-3-18-19(5-4-6-20(18)30-27)25-28-21-15-22(23(32)16-7-9-17(34-2)10-8-16)35-24(21)26(29-25)31-11-13-33-14-12-31/h4-10,15,23,30,32H,3,11-14,27H2,1-2H3.
What are the key properties of [2-(2-ethyl-3-hydrazinylphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-(4-methylsulfanylphenyl)methanol?
[2-(2-ethyl-3-hydrazinylphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-(4-methylsulfanylphenyl)methanol has a molecular weight of 507.69 g/mol, XLogP of 4.85, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethyl-3-hydrazinylphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-(4-methylsulfanylphenyl)methanol is sourced from PubChem (CID 143572344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).