N-[2-[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethyl]-5-oxooxolane-2-carboxamide

C23H24N4O5S — CID 123481857

IUPACN-[2-[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethyl]-5-oxooxolane-2-carboxamide
SMILESO=C1CCC(C(=O)NCCc2cc3nc(-c4cccc(O)c4)nc(N4CCOCC4)c3s2)O1
InChIInChI=1S/C23H24N4O5S/c28-15-3-1-2-14(12-15)21-25-17-13-16(6-7-24-23(30)18-4-5-19(29)32-18)33-20(17)22(26-21)27-8-10-31-11-9-27/h1-3,12-13,18,28H,4-11H2,(H,24,30)
InChIKeyWIJGSBMMPNKAOQ-UHFFFAOYSA-N
MW468.54 g/mol
LogP2.26
Rot. Bonds6

About N-[2-[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethyl]-5-oxooxolane-2-carboxamide

N-[2-[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethyl]-5-oxooxolane-2-carboxamide (PubChem CID 123481857) has the molecular formula C23H24N4O5S and a molecular weight of 468.54 g/mol. Its IUPAC name is N-[2-[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethyl]-5-oxooxolane-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethyl]-5-oxooxolane-2-carboxamide
PubChem CID123481857
Molecular FormulaC23H24N4O5S
Molecular Weight468.54 g/mol
Exact Mass468.15
IUPAC NameN-[2-[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethyl]-5-oxooxolane-2-carboxamide
SMILESO=C1CCC(C(=O)NCCc2cc3nc(-c4cccc(O)c4)nc(N4CCOCC4)c3s2)O1
InChIInChI=1S/C23H24N4O5S/c28-15-3-1-2-14(12-15)21-25-17-13-16(6-7-24-23(30)18-4-5-19(29)32-18)33-20(17)22(26-21)27-8-10-31-11-9-27/h1-3,12-13,18,28H,4-11H2,(H,24,30)
InChIKeyWIJGSBMMPNKAOQ-UHFFFAOYSA-N
XLogP2.26
TPSA113.88 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.54
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

(2R)-N-[[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methyl-5-oxooxolane-2-carboxamide
CID 58491546
3-[6-[[4-(dimethylamino)piperidin-1-yl]methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]phenol
CID 11496178
3-[6-[[methyl-(1-methylpyrrolidin-3-yl)amino]methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]phenol
CID 11619051
1-[[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-ol;4-methylmorpholine
CID 69395746
N-[[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylprop-2-enamide
CID 58441410
3-[6-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]phenol
CID 11690718
3-[4-morpholin-4-yl-6-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]phenol;hydrochloride
CID 67054453
3-[6-[[methyl-[(1R)-1-[(2S)-pyrrolidin-2-yl]ethyl]amino]methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]phenol
CID 69409597
1-[4-[3-[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]prop-2-ynyl]piperazin-1-yl]ethanone
CID 123840079
1-[4-hydroxy-4-[2-[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethynyl]piperidin-1-yl]-5-methylhex-5-ene-1,4-dione
CID 58441673
3-(6-morpholin-4-yl-8-thia-3,5,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraen-4-yl)phenol
CID 56838481
(E)-1-[7-[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-3,4-dihydro-1H-isoquinolin-2-yl]hept-5-ene-1,4-dione
CID 58441306

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethyl]-5-oxooxolane-2-carboxamide?
The IUPAC name of N-[2-[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethyl]-5-oxooxolane-2-carboxamide (CID 123481857) is N-[2-[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethyl]-5-oxooxolane-2-carboxamide.
What is the SMILES notation for N-[2-[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethyl]-5-oxooxolane-2-carboxamide?
The canonical SMILES for N-[2-[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethyl]-5-oxooxolane-2-carboxamide is O=C1CCC(C(=O)NCCc2cc3nc(-c4cccc(O)c4)nc(N4CCOCC4)c3s2)O1.
What is the InChIKey of N-[2-[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethyl]-5-oxooxolane-2-carboxamide?
The InChIKey is WIJGSBMMPNKAOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O5S/c28-15-3-1-2-14(12-15)21-25-17-13-16(6-7-24-23(30)18-4-5-19(29)32-18)33-20(17)22(26-21)27-8-10-31-11-9-27/h1-3,12-13,18,28H,4-11H2,(H,24,30).
What are the key properties of N-[2-[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethyl]-5-oxooxolane-2-carboxamide?
N-[2-[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethyl]-5-oxooxolane-2-carboxamide has a molecular weight of 468.54 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethyl]-5-oxooxolane-2-carboxamide is sourced from PubChem (CID 123481857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).