4-chloro-5-(3,4-dimethoxyphenyl)-2-pyridin-3-ylthieno[2,3-d]pyrimidine

C19H14ClN3O2S — CID 2566116

IUPAC4-chloro-5-(3,4-dimethoxyphenyl)-2-pyridin-3-ylthieno[2,3-d]pyrimidine
SMILESCOc1ccc(-c2csc3nc(-c4cccnc4)nc(Cl)c23)cc1OC
InChIInChI=1S/C19H14ClN3O2S/c1-24-14-6-5-11(8-15(14)25-2)13-10-26-19-16(13)17(20)22-18(23-19)12-4-3-7-21-9-12/h3-10H,1-2H3
InChIKeyYIQWXHJHNHBKHB-UHFFFAOYSA-N
MW383.86 g/mol
LogP5.09
Rot. Bonds4

About 4-chloro-5-(3,4-dimethoxyphenyl)-2-pyridin-3-ylthieno[2,3-d]pyrimidine

4-chloro-5-(3,4-dimethoxyphenyl)-2-pyridin-3-ylthieno[2,3-d]pyrimidine (PubChem CID 2566116) has the molecular formula C19H14ClN3O2S and a molecular weight of 383.86 g/mol. Its IUPAC name is 4-chloro-5-(3,4-dimethoxyphenyl)-2-pyridin-3-ylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-5-(3,4-dimethoxyphenyl)-2-pyridin-3-ylthieno[2,3-d]pyrimidine
PubChem CID2566116
Molecular FormulaC19H14ClN3O2S
Molecular Weight383.86 g/mol
Exact Mass383.05
IUPAC Name4-chloro-5-(3,4-dimethoxyphenyl)-2-pyridin-3-ylthieno[2,3-d]pyrimidine
SMILESCOc1ccc(-c2csc3nc(-c4cccnc4)nc(Cl)c23)cc1OC
InChIInChI=1S/C19H14ClN3O2S/c1-24-14-6-5-11(8-15(14)25-2)13-10-26-19-16(13)17(20)22-18(23-19)12-4-3-7-21-9-12/h3-10H,1-2H3
InChIKeyYIQWXHJHNHBKHB-UHFFFAOYSA-N
XLogP5.09
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.86
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(3,4-dimethoxyphenyl)-2-pyridin-3-ylthieno[2,3-d]pyrimidine?
The IUPAC name of 4-chloro-5-(3,4-dimethoxyphenyl)-2-pyridin-3-ylthieno[2,3-d]pyrimidine (CID 2566116) is 4-chloro-5-(3,4-dimethoxyphenyl)-2-pyridin-3-ylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-chloro-5-(3,4-dimethoxyphenyl)-2-pyridin-3-ylthieno[2,3-d]pyrimidine?
The canonical SMILES for 4-chloro-5-(3,4-dimethoxyphenyl)-2-pyridin-3-ylthieno[2,3-d]pyrimidine is COc1ccc(-c2csc3nc(-c4cccnc4)nc(Cl)c23)cc1OC.
What is the InChIKey of 4-chloro-5-(3,4-dimethoxyphenyl)-2-pyridin-3-ylthieno[2,3-d]pyrimidine?
The InChIKey is YIQWXHJHNHBKHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3O2S/c1-24-14-6-5-11(8-15(14)25-2)13-10-26-19-16(13)17(20)22-18(23-19)12-4-3-7-21-9-12/h3-10H,1-2H3.
What are the key properties of 4-chloro-5-(3,4-dimethoxyphenyl)-2-pyridin-3-ylthieno[2,3-d]pyrimidine?
4-chloro-5-(3,4-dimethoxyphenyl)-2-pyridin-3-ylthieno[2,3-d]pyrimidine has a molecular weight of 383.86 g/mol, XLogP of 5.09, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(3,4-dimethoxyphenyl)-2-pyridin-3-ylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 2566116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).