2-[[5-[4-morpholin-4-yl-6-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]-2-pyridinyl]amino]ethanol

C22H29N7O2S — CID 66934280

IUPAC2-[[5-[4-morpholin-4-yl-6-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]-2-pyridinyl]amino]ethanol
SMILESOCCNc1ccc(-c2nc(N3CCOCC3)c3sc(CN4CCNCC4)cc3n2)cn1
InChIInChI=1S/C22H29N7O2S/c30-10-5-24-19-2-1-16(14-25-19)21-26-18-13-17(15-28-6-3-23-4-7-28)32-20(18)22(27-21)29-8-11-31-12-9-29/h1-2,13-14,23,30H,3-12,15H2,(H,24,25)
InChIKeyJBVDQAPQHIKIKX-UHFFFAOYSA-N
MW455.59 g/mol
LogP1.40
Rot. Bonds7

About 2-[[5-[4-morpholin-4-yl-6-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]-2-pyridinyl]amino]ethanol

2-[[5-[4-morpholin-4-yl-6-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]-2-pyridinyl]amino]ethanol (PubChem CID 66934280) has the molecular formula C22H29N7O2S and a molecular weight of 455.59 g/mol. Its IUPAC name is 2-[[5-[4-morpholin-4-yl-6-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]-2-pyridinyl]amino]ethanol.

Molecular Properties

Compound Name2-[[5-[4-morpholin-4-yl-6-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]-2-pyridinyl]amino]ethanol
PubChem CID66934280
Molecular FormulaC22H29N7O2S
Molecular Weight455.59 g/mol
Exact Mass455.21
IUPAC Name2-[[5-[4-morpholin-4-yl-6-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]-2-pyridinyl]amino]ethanol
SMILESOCCNc1ccc(-c2nc(N3CCOCC3)c3sc(CN4CCNCC4)cc3n2)cn1
InChIInChI=1S/C22H29N7O2S/c30-10-5-24-19-2-1-16(14-25-19)21-26-18-13-17(15-28-6-3-23-4-7-28)32-20(18)22(27-21)29-8-11-31-12-9-29/h1-2,13-14,23,30H,3-12,15H2,(H,24,25)
InChIKeyJBVDQAPQHIKIKX-UHFFFAOYSA-N
XLogP1.40
TPSA98.67 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.59
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 2-[[5-[4-morpholin-4-yl-6-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]-2-pyridinyl]amino]ethanol with MolForge

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Related Compounds

3-[4-morpholin-4-yl-6-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]phenol;hydrochloride
CID 67054453
(2S)-2-hydroxy-3-[4-[[2-[6-(methylamino)-3-pyridinyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]propanal
CID 87670243
5-[4-morpholin-4-yl-6-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]pyridine-3-carbonitrile
CID 66934265
1-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-4-methylpiperidin-4-ol
CID 24946704
5-[4-morpholin-4-yl-6-(thiomorpholin-4-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine
CID 66934113
4-[2-(5-fluoro-1H-indol-4-yl)-6-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 24937384
4-[2-(6-fluoro-1H-indol-4-yl)-6-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 24937383
4-[2-(6-methoxy-3-pyridinyl)-6-[(4-methylsulfinylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 143690144
2-hydroxy-1-[4-[[2-(6-methoxy-3-pyridinyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]propan-1-one
CID 66934024
4-[6-[(4-methylpiperazin-1-yl)methyl]-2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-yl]morpholine
CID 24947792
4-[2-(piperazin-1-ylmethyl)thieno[2,3-c]pyridin-7-yl]morpholine
CID 121395999
(2R)-1-[[5-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-2-pyridinyl]amino]propan-2-ol
CID 59829487

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[4-morpholin-4-yl-6-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]-2-pyridinyl]amino]ethanol?
The IUPAC name of 2-[[5-[4-morpholin-4-yl-6-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]-2-pyridinyl]amino]ethanol (CID 66934280) is 2-[[5-[4-morpholin-4-yl-6-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]-2-pyridinyl]amino]ethanol.
What is the SMILES notation for 2-[[5-[4-morpholin-4-yl-6-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]-2-pyridinyl]amino]ethanol?
The canonical SMILES for 2-[[5-[4-morpholin-4-yl-6-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]-2-pyridinyl]amino]ethanol is OCCNc1ccc(-c2nc(N3CCOCC3)c3sc(CN4CCNCC4)cc3n2)cn1.
What is the InChIKey of 2-[[5-[4-morpholin-4-yl-6-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]-2-pyridinyl]amino]ethanol?
The InChIKey is JBVDQAPQHIKIKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N7O2S/c30-10-5-24-19-2-1-16(14-25-19)21-26-18-13-17(15-28-6-3-23-4-7-28)32-20(18)22(27-21)29-8-11-31-12-9-29/h1-2,13-14,23,30H,3-12,15H2,(H,24,25).
What are the key properties of 2-[[5-[4-morpholin-4-yl-6-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]-2-pyridinyl]amino]ethanol?
2-[[5-[4-morpholin-4-yl-6-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]-2-pyridinyl]amino]ethanol has a molecular weight of 455.59 g/mol, XLogP of 1.40, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[4-morpholin-4-yl-6-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]-2-pyridinyl]amino]ethanol is sourced from PubChem (CID 66934280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).