2-[4-[5-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-2-pyridinyl]piperazin-1-yl]ethanol

C25H29N9O2S — CID 59829471

IUPAC2-[4-[5-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-2-pyridinyl]piperazin-1-yl]ethanol
SMILESNc1ncc(-c2nc(N3CCOCC3)c3sc(-c4ccc(N5CCN(CCO)CC5)nc4)cc3n2)cn1
InChIInChI=1S/C25H29N9O2S/c26-25-28-15-18(16-29-25)23-30-19-13-20(37-22(19)24(31-23)34-8-11-36-12-9-34)17-1-2-21(27-14-17)33-5-3-32(4-6-33)7-10-35/h1-2,13-16,35H,3-12H2,(H2,26,28,29)
InChIKeyBKEQFQSQGONJAN-UHFFFAOYSA-N
MW519.64 g/mol
LogP1.74
Rot. Bonds6

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

2-[4-[5-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-2-pyridinyl]piperazin-1-yl]ethanol (PubChem CID 59829471) has the molecular formula C25H29N9O2S and a molecular weight of 519.64 g/mol. Its IUPAC name is 2-[4-[5-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-2-pyridinyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[5-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-2-pyridinyl]piperazin-1-yl]ethanol
PubChem CID59829471
Molecular FormulaC25H29N9O2S
Molecular Weight519.64 g/mol
Exact Mass519.22
IUPAC Name2-[4-[5-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-2-pyridinyl]piperazin-1-yl]ethanol
SMILESNc1ncc(-c2nc(N3CCOCC3)c3sc(-c4ccc(N5CCN(CCO)CC5)nc4)cc3n2)cn1
InChIInChI=1S/C25H29N9O2S/c26-25-28-15-18(16-29-25)23-30-19-13-20(37-22(19)24(31-23)34-8-11-36-12-9-34)17-1-2-21(27-14-17)33-5-3-32(4-6-33)7-10-35/h1-2,13-16,35H,3-12H2,(H2,26,28,29)
InChIKeyBKEQFQSQGONJAN-UHFFFAOYSA-N
XLogP1.74
TPSA129.65 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.64
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

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

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Launch Full Analysis

Related Compounds

5-[4-morpholin-4-yl-6-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]thieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine
CID 59829333
3-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]benzoic acid
CID 25109374
5-[6-(2-fluoro-4-pyridinyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine
CID 59829258
(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
5-[4-morpholin-4-yl-6-[3-(2H-tetrazol-5-yl)phenyl]thieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine
CID 25109321
1-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethenol
CID 89235079
5-[4-morpholin-4-yl-6-(thiomorpholin-4-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine
CID 66934113
1-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-4-methylpiperidin-4-ol
CID 24946704
5-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine
CID 46180604
(2S)-1-[4-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-hydroxypropan-1-one
CID 58233954
5-(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)pyridin-2-amine
CID 86618369
1-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl-methylamino]-2-methylpropan-2-ol
CID 59829302

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-2-pyridinyl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[5-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-2-pyridinyl]piperazin-1-yl]ethanol (CID 59829471) is 2-[4-[5-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-2-pyridinyl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[5-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-2-pyridinyl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[5-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-2-pyridinyl]piperazin-1-yl]ethanol is Nc1ncc(-c2nc(N3CCOCC3)c3sc(-c4ccc(N5CCN(CCO)CC5)nc4)cc3n2)cn1.
What is the InChIKey of 2-[4-[5-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-2-pyridinyl]piperazin-1-yl]ethanol?
The InChIKey is BKEQFQSQGONJAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N9O2S/c26-25-28-15-18(16-29-25)23-30-19-13-20(37-22(19)24(31-23)34-8-11-36-12-9-34)17-1-2-21(27-14-17)33-5-3-32(4-6-33)7-10-35/h1-2,13-16,35H,3-12H2,(H2,26,28,29).
What are the key properties of 2-[4-[5-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-2-pyridinyl]piperazin-1-yl]ethanol?
2-[4-[5-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-2-pyridinyl]piperazin-1-yl]ethanol has a molecular weight of 519.64 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-2-pyridinyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 59829471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).