2-(dimethylamino)-1-[4-[[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]ethanone

C25H32N6O3S — CID 11720219

IUPAC2-(dimethylamino)-1-[4-[[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]ethanone
SMILESCN(C)CC(=O)N1CCN(Cc2cc3nc(-c4cccc(O)c4)nc(N4CCOCC4)c3s2)CC1
InChIInChI=1S/C25H32N6O3S/c1-28(2)17-22(33)30-8-6-29(7-9-30)16-20-15-21-23(35-20)25(31-10-12-34-13-11-31)27-24(26-21)18-4-3-5-19(32)14-18/h3-5,14-15,32H,6-13,16-17H2,1-2H3
InChIKeyWZEAUCOGXFISRB-UHFFFAOYSA-N
MW496.64 g/mol
LogP2.11
Rot. Bonds6

About 2-(dimethylamino)-1-[4-[[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]ethanone

2-(dimethylamino)-1-[4-[[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]ethanone (PubChem CID 11720219) has the molecular formula C25H32N6O3S and a molecular weight of 496.64 g/mol. Its IUPAC name is 2-(dimethylamino)-1-[4-[[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(dimethylamino)-1-[4-[[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]ethanone
PubChem CID11720219
Molecular FormulaC25H32N6O3S
Molecular Weight496.64 g/mol
Exact Mass496.23
IUPAC Name2-(dimethylamino)-1-[4-[[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]ethanone
SMILESCN(C)CC(=O)N1CCN(Cc2cc3nc(-c4cccc(O)c4)nc(N4CCOCC4)c3s2)CC1
InChIInChI=1S/C25H32N6O3S/c1-28(2)17-22(33)30-8-6-29(7-9-30)16-20-15-21-23(35-20)25(31-10-12-34-13-11-31)27-24(26-21)18-4-3-5-19(32)14-18/h3-5,14-15,32H,6-13,16-17H2,1-2H3
InChIKeyWZEAUCOGXFISRB-UHFFFAOYSA-N
XLogP2.11
TPSA85.27 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.64
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-[4-[[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-(dimethylamino)-1-[4-[[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]ethanone (CID 11720219) is 2-(dimethylamino)-1-[4-[[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(dimethylamino)-1-[4-[[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-(dimethylamino)-1-[4-[[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]ethanone is CN(C)CC(=O)N1CCN(Cc2cc3nc(-c4cccc(O)c4)nc(N4CCOCC4)c3s2)CC1.
What is the InChIKey of 2-(dimethylamino)-1-[4-[[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]ethanone?
The InChIKey is WZEAUCOGXFISRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6O3S/c1-28(2)17-22(33)30-8-6-29(7-9-30)16-20-15-21-23(35-20)25(31-10-12-34-13-11-31)27-24(26-21)18-4-3-5-19(32)14-18/h3-5,14-15,32H,6-13,16-17H2,1-2H3.
What are the key properties of 2-(dimethylamino)-1-[4-[[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]ethanone?
2-(dimethylamino)-1-[4-[[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]ethanone has a molecular weight of 496.64 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-[4-[[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 11720219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).