3-[6-[[4-(3-methyl-1,2,4-triazol-4-yl)piperidin-1-yl]methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]phenol

C25H29N7O2S — CID 132606879

IUPAC3-[6-[[4-(3-methyl-1,2,4-triazol-4-yl)piperidin-1-yl]methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]phenol
SMILESCc1nncn1C1CCN(Cc2cc3nc(-c4cccc(O)c4)nc(N4CCOCC4)c3s2)CC1
InChIInChI=1S/C25H29N7O2S/c1-17-29-26-16-32(17)19-5-7-30(8-6-19)15-21-14-22-23(35-21)25(31-9-11-34-12-10-31)28-24(27-22)18-3-2-4-20(33)13-18/h2-4,13-14,16,19,33H,5-12,15H2,1H3
InChIKeyTTZDHGDYMSKHEK-UHFFFAOYSA-N
MW491.62 g/mol
LogP3.64
Rot. Bonds5

About 3-[6-[[4-(3-methyl-1,2,4-triazol-4-yl)piperidin-1-yl]methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]phenol

3-[6-[[4-(3-methyl-1,2,4-triazol-4-yl)piperidin-1-yl]methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]phenol (PubChem CID 132606879) has the molecular formula C25H29N7O2S and a molecular weight of 491.62 g/mol. Its IUPAC name is 3-[6-[[4-(3-methyl-1,2,4-triazol-4-yl)piperidin-1-yl]methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]phenol.

Molecular Properties

Compound Name3-[6-[[4-(3-methyl-1,2,4-triazol-4-yl)piperidin-1-yl]methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]phenol
PubChem CID132606879
Molecular FormulaC25H29N7O2S
Molecular Weight491.62 g/mol
Exact Mass491.21
IUPAC Name3-[6-[[4-(3-methyl-1,2,4-triazol-4-yl)piperidin-1-yl]methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]phenol
SMILESCc1nncn1C1CCN(Cc2cc3nc(-c4cccc(O)c4)nc(N4CCOCC4)c3s2)CC1
InChIInChI=1S/C25H29N7O2S/c1-17-29-26-16-32(17)19-5-7-30(8-6-19)15-21-14-22-23(35-21)25(31-9-11-34-12-10-31)28-24(27-22)18-3-2-4-20(33)13-18/h2-4,13-14,16,19,33H,5-12,15H2,1H3
InChIKeyTTZDHGDYMSKHEK-UHFFFAOYSA-N
XLogP3.64
TPSA92.43 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.62
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

3-(4-Morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenol
CID 9901372
3-(6-((4-(2-Hydroxyethyl)piperazin-1-yl)methyl)-4-(morpholin-4-yl)thieno(3,2-d)pyrimidin-2-yl)phenol
CID 11539769
3-[6-[(4-Methylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]phenol
CID 11669062
3-[6-Methyl-4-(morpholin-4-yl)thieno[3,2-d]pyrimidin-2-yl]phenol
CID 25023739
3-[6-(4-Methanesulfonyl-piperazin-1-ylmethyl)-4-morpholin-4-yl-thieno[3,2-d]pyrimidin-2-yl]-phenol
CID 11576772
3-[7-Methyl-4-(morpholin-4-yl)thieno[3,2-d]pyrimidin-2-yl]phenol
CID 25023740
3-{6-[(Dimethylamino)methyl]-4-(morpholin-4-yl)thieno[3,2-d]pyrimidin-2-yl}phenol
CID 25023741
3-(6-{[(2-Methoxyethyl)(methyl)amino]methyl}-4-(morpholin-4-yl)thieno[3,2-d]pyrimidin-2-yl)phenol
CID 25023742
3-[6-[[(5aS,9aS)-1-(trifluoromethyl)-5,5a,6,8,9,9a-hexahydro-4H-[1,2,4]triazolo[4,3-a][1,6]naphthyridin-7-yl]methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]phenol
CID 137639099
3-[6-[[(5aS,9aS)-1-methyl-5,5a,6,8,9,9a-hexahydro-4H-[1,2,4]triazolo[4,3-a][1,6]naphthyridin-7-yl]methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]phenol
CID 137653565
3-[6-[[(5aR,9aS)-1-(trifluoromethyl)-5,5a,6,8,9,9a-hexahydro-4H-[1,2,4]triazolo[4,3-a][1,6]naphthyridin-7-yl]methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]phenol
CID 137661301
3-(4-(8-Oxa-3-azabicyclo[3.2.1]octan-3-yl)thieno[3,2-d]pyrimidin-2-yl)phenol
CID 46227614

Frequently Asked Questions

What is the IUPAC name of 3-[6-[[4-(3-methyl-1,2,4-triazol-4-yl)piperidin-1-yl]methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]phenol?
The IUPAC name of 3-[6-[[4-(3-methyl-1,2,4-triazol-4-yl)piperidin-1-yl]methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]phenol (CID 132606879) is 3-[6-[[4-(3-methyl-1,2,4-triazol-4-yl)piperidin-1-yl]methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]phenol.
What is the SMILES notation for 3-[6-[[4-(3-methyl-1,2,4-triazol-4-yl)piperidin-1-yl]methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]phenol?
The canonical SMILES for 3-[6-[[4-(3-methyl-1,2,4-triazol-4-yl)piperidin-1-yl]methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]phenol is Cc1nncn1C1CCN(Cc2cc3nc(-c4cccc(O)c4)nc(N4CCOCC4)c3s2)CC1.
What is the InChIKey of 3-[6-[[4-(3-methyl-1,2,4-triazol-4-yl)piperidin-1-yl]methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]phenol?
The InChIKey is TTZDHGDYMSKHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N7O2S/c1-17-29-26-16-32(17)19-5-7-30(8-6-19)15-21-14-22-23(35-21)25(31-9-11-34-12-10-31)28-24(27-22)18-3-2-4-20(33)13-18/h2-4,13-14,16,19,33H,5-12,15H2,1H3.
What are the key properties of 3-[6-[[4-(3-methyl-1,2,4-triazol-4-yl)piperidin-1-yl]methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]phenol?
3-[6-[[4-(3-methyl-1,2,4-triazol-4-yl)piperidin-1-yl]methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]phenol has a molecular weight of 491.62 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[[4-(3-methyl-1,2,4-triazol-4-yl)piperidin-1-yl]methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]phenol is sourced from PubChem (CID 132606879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).