2-[5-[2-amino-6-(4-hydroxy-2-pyridin-2-ylthieno[3,2-d]pyrimidin-7-yl)-4-pyridinyl]-2-pyridinyl]-7-(2-chlorophenyl)-6-methylthieno[3,2-d]pyrimidin-4-ol

C34H21ClN8O2S2 — CID 142506688

IUPAC2-[5-[2-amino-6-(4-hydroxy-2-pyridin-2-ylthieno[3,2-d]pyrimidin-7-yl)-4-pyridinyl]-2-pyridinyl]-7-(2-chlorophenyl)-6-methylthieno[3,2-d]pyrimidin-4-ol
SMILESCc1sc2c(O)nc(-c3ccc(-c4cc(N)nc(-c5csc6c(O)nc(-c7ccccn7)nc56)c4)cn3)nc2c1-c1ccccc1Cl
InChIInChI=1S/C34H21ClN8O2S2/c1-16-26(19-6-2-3-7-21(19)35)28-30(47-16)34(45)43-32(41-28)23-10-9-17(14-38-23)18-12-24(39-25(36)13-18)20-15-46-29-27(20)40-31(42-33(29)44)22-8-4-5-11-37-22/h2-15H,1H3,(H2,36,39)(H,40,42,44)(H,41,43,45)
InChIKeyHRINDZZZKNTDIT-UHFFFAOYSA-N
MW673.18 g/mol
LogP8.17
Rot. Bonds5

About 2-[5-[2-amino-6-(4-hydroxy-2-pyridin-2-ylthieno[3,2-d]pyrimidin-7-yl)-4-pyridinyl]-2-pyridinyl]-7-(2-chlorophenyl)-6-methylthieno[3,2-d]pyrimidin-4-ol

2-[5-[2-amino-6-(4-hydroxy-2-pyridin-2-ylthieno[3,2-d]pyrimidin-7-yl)-4-pyridinyl]-2-pyridinyl]-7-(2-chlorophenyl)-6-methylthieno[3,2-d]pyrimidin-4-ol (PubChem CID 142506688) has the molecular formula C34H21ClN8O2S2 and a molecular weight of 673.18 g/mol. Its IUPAC name is 2-[5-[2-amino-6-(4-hydroxy-2-pyridin-2-ylthieno[3,2-d]pyrimidin-7-yl)-4-pyridinyl]-2-pyridinyl]-7-(2-chlorophenyl)-6-methylthieno[3,2-d]pyrimidin-4-ol.

Molecular Properties

Compound Name2-[5-[2-amino-6-(4-hydroxy-2-pyridin-2-ylthieno[3,2-d]pyrimidin-7-yl)-4-pyridinyl]-2-pyridinyl]-7-(2-chlorophenyl)-6-methylthieno[3,2-d]pyrimidin-4-ol
PubChem CID142506688
Molecular FormulaC34H21ClN8O2S2
Molecular Weight673.18 g/mol
Exact Mass672.09
IUPAC Name2-[5-[2-amino-6-(4-hydroxy-2-pyridin-2-ylthieno[3,2-d]pyrimidin-7-yl)-4-pyridinyl]-2-pyridinyl]-7-(2-chlorophenyl)-6-methylthieno[3,2-d]pyrimidin-4-ol
SMILESCc1sc2c(O)nc(-c3ccc(-c4cc(N)nc(-c5csc6c(O)nc(-c7ccccn7)nc56)c4)cn3)nc2c1-c1ccccc1Cl
InChIInChI=1S/C34H21ClN8O2S2/c1-16-26(19-6-2-3-7-21(19)35)28-30(47-16)34(45)43-32(41-28)23-10-9-17(14-38-23)18-12-24(39-25(36)13-18)20-15-46-29-27(20)40-31(42-33(29)44)22-8-4-5-11-37-22/h2-15H,1H3,(H2,36,39)(H,40,42,44)(H,41,43,45)
InChIKeyHRINDZZZKNTDIT-UHFFFAOYSA-N
XLogP8.17
TPSA156.71 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500673.18
LogP ≤ 58.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Analyze 2-[5-[2-amino-6-(4-hydroxy-2-pyridin-2-ylthieno[3,2-d]pyrimidin-7-yl)-4-pyridinyl]-2-pyridinyl]-7-(2-chlorophenyl)-6-methylthieno[3,2-d]pyrimidin-4-ol with MolForge

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Launch Full Analysis

Related Compounds

2-Amino-7-[2-chloro-5-(7-phenyl-2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-yl)oxyphenyl]thieno[3,2-d]pyrimidin-4-ol
CID 137213592
2-[4-[4-[7-(2-Chlorophenyl)-4-hydroxy-2-(1-methylimidazol-2-yl)thieno[3,2-d]pyrimidin-6-yl]phenyl]-1-methylimidazol-2-yl]-7-(6-methoxy-3-pyridinyl)-6-phenylthieno[3,2-d]pyrimidin-4-ol
CID 142506665
3-[4-(2-Chloro-4-pyridinyl)thieno[3,2-d]pyrimidin-2-yl]phenol;4-[2-(3-hydroxyphenyl)thieno[3,2-d]pyrimidin-4-yl]pyridine-2-carbonitrile
CID 158346473

Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-amino-6-(4-hydroxy-2-pyridin-2-ylthieno[3,2-d]pyrimidin-7-yl)-4-pyridinyl]-2-pyridinyl]-7-(2-chlorophenyl)-6-methylthieno[3,2-d]pyrimidin-4-ol?
The IUPAC name of 2-[5-[2-amino-6-(4-hydroxy-2-pyridin-2-ylthieno[3,2-d]pyrimidin-7-yl)-4-pyridinyl]-2-pyridinyl]-7-(2-chlorophenyl)-6-methylthieno[3,2-d]pyrimidin-4-ol (CID 142506688) is 2-[5-[2-amino-6-(4-hydroxy-2-pyridin-2-ylthieno[3,2-d]pyrimidin-7-yl)-4-pyridinyl]-2-pyridinyl]-7-(2-chlorophenyl)-6-methylthieno[3,2-d]pyrimidin-4-ol.
What is the SMILES notation for 2-[5-[2-amino-6-(4-hydroxy-2-pyridin-2-ylthieno[3,2-d]pyrimidin-7-yl)-4-pyridinyl]-2-pyridinyl]-7-(2-chlorophenyl)-6-methylthieno[3,2-d]pyrimidin-4-ol?
The canonical SMILES for 2-[5-[2-amino-6-(4-hydroxy-2-pyridin-2-ylthieno[3,2-d]pyrimidin-7-yl)-4-pyridinyl]-2-pyridinyl]-7-(2-chlorophenyl)-6-methylthieno[3,2-d]pyrimidin-4-ol is Cc1sc2c(O)nc(-c3ccc(-c4cc(N)nc(-c5csc6c(O)nc(-c7ccccn7)nc56)c4)cn3)nc2c1-c1ccccc1Cl.
What is the InChIKey of 2-[5-[2-amino-6-(4-hydroxy-2-pyridin-2-ylthieno[3,2-d]pyrimidin-7-yl)-4-pyridinyl]-2-pyridinyl]-7-(2-chlorophenyl)-6-methylthieno[3,2-d]pyrimidin-4-ol?
The InChIKey is HRINDZZZKNTDIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H21ClN8O2S2/c1-16-26(19-6-2-3-7-21(19)35)28-30(47-16)34(45)43-32(41-28)23-10-9-17(14-38-23)18-12-24(39-25(36)13-18)20-15-46-29-27(20)40-31(42-33(29)44)22-8-4-5-11-37-22/h2-15H,1H3,(H2,36,39)(H,40,42,44)(H,41,43,45).
What are the key properties of 2-[5-[2-amino-6-(4-hydroxy-2-pyridin-2-ylthieno[3,2-d]pyrimidin-7-yl)-4-pyridinyl]-2-pyridinyl]-7-(2-chlorophenyl)-6-methylthieno[3,2-d]pyrimidin-4-ol?
2-[5-[2-amino-6-(4-hydroxy-2-pyridin-2-ylthieno[3,2-d]pyrimidin-7-yl)-4-pyridinyl]-2-pyridinyl]-7-(2-chlorophenyl)-6-methylthieno[3,2-d]pyrimidin-4-ol has a molecular weight of 673.18 g/mol, XLogP of 8.17, 5 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-amino-6-(4-hydroxy-2-pyridin-2-ylthieno[3,2-d]pyrimidin-7-yl)-4-pyridinyl]-2-pyridinyl]-7-(2-chlorophenyl)-6-methylthieno[3,2-d]pyrimidin-4-ol is sourced from PubChem (CID 142506688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).