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

C29H17ClN6O2S2 — CID 137213592

IUPAC2-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
SMILESNc1nc(O)c2scc(-c3cc(Oc4nc(-c5ccccn5)nc5c(-c6ccccc6)csc45)ccc3Cl)c2n1
InChIInChI=1S/C29H17ClN6O2S2/c30-20-10-9-16(12-17(20)19-14-39-24-23(19)34-29(31)36-27(24)37)38-28-25-22(18(13-40-25)15-6-2-1-3-7-15)33-26(35-28)21-8-4-5-11-32-21/h1-14H,(H3,31,34,36,37)
InChIKeyAYWOCDKVFUWEMR-UHFFFAOYSA-N
MW581.08 g/mol
LogP7.83
Rot. Bonds5

About 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

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 (PubChem CID 137213592) has the molecular formula C29H17ClN6O2S2 and a molecular weight of 581.08 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID137213592
Molecular FormulaC29H17ClN6O2S2
Molecular Weight581.08 g/mol
Exact Mass580.05
IUPAC Name2-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
SMILESNc1nc(O)c2scc(-c3cc(Oc4nc(-c5ccccn5)nc5c(-c6ccccc6)csc45)ccc3Cl)c2n1
InChIInChI=1S/C29H17ClN6O2S2/c30-20-10-9-16(12-17(20)19-14-39-24-23(19)34-29(31)36-27(24)37)38-28-25-22(18(13-40-25)15-6-2-1-3-7-15)33-26(35-28)21-8-4-5-11-32-21/h1-14H,(H3,31,34,36,37)
InChIKeyAYWOCDKVFUWEMR-UHFFFAOYSA-N
XLogP7.83
TPSA119.93 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.08
LogP ≤ 57.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Nc1nc(O)c2scc(-c3cc(Oc4nc(-c5ccccn5)nc5c(-c6ccccc6)csc45)ccc3Cl)c2n1.
What is the InChIKey of 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?
The InChIKey is AYWOCDKVFUWEMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H17ClN6O2S2/c30-20-10-9-16(12-17(20)19-14-39-24-23(19)34-29(31)36-27(24)37)38-28-25-22(18(13-40-25)15-6-2-1-3-7-15)33-26(35-28)21-8-4-5-11-32-21/h1-14H,(H3,31,34,36,37).
What are the key properties of 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?
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 has a molecular weight of 581.08 g/mol, XLogP of 7.83, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 137213592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).