2-[4-[[4-(2-aminopyrimidin-5-yl)-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]ethanol

C22H30N8O2S — CID 71811784

IUPAC2-[4-[[4-(2-aminopyrimidin-5-yl)-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]ethanol
SMILESCc1sc2c(-c3cnc(N)nc3)nc(N3CCOCC3)nc2c1CN1CCN(CCO)CC1
InChIInChI=1S/C22H30N8O2S/c1-15-17(14-29-4-2-28(3-5-29)6-9-31)19-20(33-15)18(16-12-24-21(23)25-13-16)26-22(27-19)30-7-10-32-11-8-30/h12-13,31H,2-11,14H2,1H3,(H2,23,24,25)
InChIKeyATTUWTCNNWPSRL-UHFFFAOYSA-N
MW470.60 g/mol
LogP0.99
Rot. Bonds6

About 2-[4-[[4-(2-aminopyrimidin-5-yl)-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]ethanol

2-[4-[[4-(2-aminopyrimidin-5-yl)-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]ethanol (PubChem CID 71811784) has the molecular formula C22H30N8O2S and a molecular weight of 470.60 g/mol. Its IUPAC name is 2-[4-[[4-(2-aminopyrimidin-5-yl)-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[4-(2-aminopyrimidin-5-yl)-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]ethanol
PubChem CID71811784
Molecular FormulaC22H30N8O2S
Molecular Weight470.60 g/mol
Exact Mass470.22
IUPAC Name2-[4-[[4-(2-aminopyrimidin-5-yl)-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]ethanol
SMILESCc1sc2c(-c3cnc(N)nc3)nc(N3CCOCC3)nc2c1CN1CCN(CCO)CC1
InChIInChI=1S/C22H30N8O2S/c1-15-17(14-29-4-2-28(3-5-29)6-9-31)19-20(33-15)18(16-12-24-21(23)25-13-16)26-22(27-19)30-7-10-32-11-8-30/h12-13,31H,2-11,14H2,1H3,(H2,23,24,25)
InChIKeyATTUWTCNNWPSRL-UHFFFAOYSA-N
XLogP0.99
TPSA116.76 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.60
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-(2-aminopyrimidin-5-yl)-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[[4-(2-aminopyrimidin-5-yl)-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]ethanol (CID 71811784) is 2-[4-[[4-(2-aminopyrimidin-5-yl)-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[[4-(2-aminopyrimidin-5-yl)-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[[4-(2-aminopyrimidin-5-yl)-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]ethanol is Cc1sc2c(-c3cnc(N)nc3)nc(N3CCOCC3)nc2c1CN1CCN(CCO)CC1.
What is the InChIKey of 2-[4-[[4-(2-aminopyrimidin-5-yl)-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]ethanol?
The InChIKey is ATTUWTCNNWPSRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N8O2S/c1-15-17(14-29-4-2-28(3-5-29)6-9-31)19-20(33-15)18(16-12-24-21(23)25-13-16)26-22(27-19)30-7-10-32-11-8-30/h12-13,31H,2-11,14H2,1H3,(H2,23,24,25).
What are the key properties of 2-[4-[[4-(2-aminopyrimidin-5-yl)-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]ethanol?
2-[4-[[4-(2-aminopyrimidin-5-yl)-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]ethanol has a molecular weight of 470.60 g/mol, XLogP of 0.99, 6 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-(2-aminopyrimidin-5-yl)-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 71811784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).