3-[6-[[methyl-[(1R)-1-[(2S)-pyrrolidin-2-yl]ethyl]amino]methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]phenol

C24H31N5O2S — CID 69409597

IUPAC3-[6-[[methyl-[(1R)-1-[(2S)-pyrrolidin-2-yl]ethyl]amino]methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]phenol
SMILESC[C@H]([C@@H]1CCCN1)N(C)Cc1cc2nc(-c3cccc(O)c3)nc(N3CCOCC3)c2s1
InChIInChI=1S/C24H31N5O2S/c1-16(20-7-4-8-25-20)28(2)15-19-14-21-22(32-19)24(29-9-11-31-12-10-29)27-23(26-21)17-5-3-6-18(30)13-17/h3,5-6,13-14,16,20,25,30H,4,7-12,15H2,1-2H3/t16-,20+/m1/s1
InChIKeySDJMNJJTITVNMI-UZLBHIALSA-N
MW453.61 g/mol
LogP3.47
Rot. Bonds6

About 3-[6-[[methyl-[(1R)-1-[(2S)-pyrrolidin-2-yl]ethyl]amino]methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]phenol

3-[6-[[methyl-[(1R)-1-[(2S)-pyrrolidin-2-yl]ethyl]amino]methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]phenol (PubChem CID 69409597) has the molecular formula C24H31N5O2S and a molecular weight of 453.61 g/mol. Its IUPAC name is 3-[6-[[methyl-[(1R)-1-[(2S)-pyrrolidin-2-yl]ethyl]amino]methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]phenol.

Molecular Properties

Compound Name3-[6-[[methyl-[(1R)-1-[(2S)-pyrrolidin-2-yl]ethyl]amino]methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]phenol
PubChem CID69409597
Molecular FormulaC24H31N5O2S
Molecular Weight453.61 g/mol
Exact Mass453.22
IUPAC Name3-[6-[[methyl-[(1R)-1-[(2S)-pyrrolidin-2-yl]ethyl]amino]methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]phenol
SMILESC[C@H]([C@@H]1CCCN1)N(C)Cc1cc2nc(-c3cccc(O)c3)nc(N3CCOCC3)c2s1
InChIInChI=1S/C24H31N5O2S/c1-16(20-7-4-8-25-20)28(2)15-19-14-21-22(32-19)24(29-9-11-31-12-10-29)27-23(26-21)17-5-3-6-18(30)13-17/h3,5-6,13-14,16,20,25,30H,4,7-12,15H2,1-2H3/t16-,20+/m1/s1
InChIKeySDJMNJJTITVNMI-UZLBHIALSA-N
XLogP3.47
TPSA73.75 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.61
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

3-[6-[[methyl-(1-methylpyrrolidin-3-yl)amino]methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]phenol
CID 11619051
3-[6-[[4-(dimethylamino)piperidin-1-yl]methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]phenol
CID 11496178
3-[4-morpholin-4-yl-6-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]phenol;hydrochloride
CID 67054453
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
(2R)-N-[[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methyl-5-oxooxolane-2-carboxamide
CID 58491546
1-[[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-ol;4-methylmorpholine
CID 69395746
N-hydroxy-2-[[2-[3-[(1S)-1-hydroxyethyl]phenyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl-methylamino]pyrimidine-5-carboxamide
CID 86682195
N,1-dimethyl-N-[(4-morpholin-4-yl-2-pyridin-3-ylthieno[3,2-d]pyrimidin-6-yl)methyl]piperidin-4-amine
CID 58234054
3-[7-[(dimethylamino)methyl]-4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl]phenol
CID 42632987
N-[2-[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethyl]-5-oxooxolane-2-carboxamide
CID 123481857
N-[[2-[3-(dimethylamino)phenyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-1-hydroxy-N-methyl-2H-pyrimidin-2-amine
CID 150228567

Frequently Asked Questions

What is the IUPAC name of 3-[6-[[methyl-[(1R)-1-[(2S)-pyrrolidin-2-yl]ethyl]amino]methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]phenol?
The IUPAC name of 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) is 3-[6-[[methyl-[(1R)-1-[(2S)-pyrrolidin-2-yl]ethyl]amino]methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]phenol.
What is the SMILES notation for 3-[6-[[methyl-[(1R)-1-[(2S)-pyrrolidin-2-yl]ethyl]amino]methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]phenol?
The canonical SMILES for 3-[6-[[methyl-[(1R)-1-[(2S)-pyrrolidin-2-yl]ethyl]amino]methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]phenol is C[C@H]([C@@H]1CCCN1)N(C)Cc1cc2nc(-c3cccc(O)c3)nc(N3CCOCC3)c2s1.
What is the InChIKey of 3-[6-[[methyl-[(1R)-1-[(2S)-pyrrolidin-2-yl]ethyl]amino]methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]phenol?
The InChIKey is SDJMNJJTITVNMI-UZLBHIALSA-N. The full InChI is InChI=1S/C24H31N5O2S/c1-16(20-7-4-8-25-20)28(2)15-19-14-21-22(32-19)24(29-9-11-31-12-10-29)27-23(26-21)17-5-3-6-18(30)13-17/h3,5-6,13-14,16,20,25,30H,4,7-12,15H2,1-2H3/t16-,20+/m1/s1.
What are the key properties of 3-[6-[[methyl-[(1R)-1-[(2S)-pyrrolidin-2-yl]ethyl]amino]methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]phenol?
3-[6-[[methyl-[(1R)-1-[(2S)-pyrrolidin-2-yl]ethyl]amino]methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]phenol has a molecular weight of 453.61 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[[methyl-[(1R)-1-[(2S)-pyrrolidin-2-yl]ethyl]amino]methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]phenol is sourced from PubChem (CID 69409597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).