4-chloro-5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine

C17H10ClN3S — CID 3759524

IUPAC4-chloro-5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine
SMILESClc1nc(-c2cccnc2)nc2scc(-c3ccccc3)c12
InChIInChI=1S/C17H10ClN3S/c18-15-14-13(11-5-2-1-3-6-11)10-22-17(14)21-16(20-15)12-7-4-8-19-9-12/h1-10H
InChIKeyPXYHWAQBHXHCJR-UHFFFAOYSA-N
MW323.81 g/mol
LogP5.07
Rot. Bonds2

About 4-chloro-5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine

4-chloro-5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine (PubChem CID 3759524) has the molecular formula C17H10ClN3S and a molecular weight of 323.81 g/mol. Its IUPAC name is 4-chloro-5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine
PubChem CID3759524
Molecular FormulaC17H10ClN3S
Molecular Weight323.81 g/mol
Exact Mass323.03
IUPAC Name4-chloro-5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine
SMILESClc1nc(-c2cccnc2)nc2scc(-c3ccccc3)c12
InChIInChI=1S/C17H10ClN3S/c18-15-14-13(11-5-2-1-3-6-11)10-22-17(14)21-16(20-15)12-7-4-8-19-9-12/h1-10H
InChIKeyPXYHWAQBHXHCJR-UHFFFAOYSA-N
XLogP5.07
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.81
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-Benzyl-1-(thieno(2,3-d)pyrimidin-4-yl)piperidine
CID 2100018
4-Chloro-5-(4-chlorophenyl)thieno(2,3-d)pyrimidine
CID 708755
4-Chloro-5-(4-fluorophenyl)thieno(2,3-d)pyrimidine
CID 2782911
2-(4-Chloro-5-phenylthieno(2,3-d)pyrimidin-2-yl)pyridine
CID 2535143
4-Chloro-5-phenylthieno[2,3-d]pyrimidine
CID 708730
Pyridothieno[3,2-d]pyrimidine deriv. 74
CID 5328422
12-Phenyl-8-thia-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5,10,12-hexaen-6-amine
CID 25190906
(2s)-3-Phenyl-N~1~-[2-(Pyridin-4-Yl)-5,6,7,8-Tetrahydro[1]benzothieno[2,3-D]pyrimidin-4-Yl]propane-1,2-Diamine
CID 70702288
N-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine
CID 941960
4-Chloro-5-(4-methylphenyl)thieno(2,3-d)pyrimidine
CID 708732
4-Chloro-2-methyl-5-phenylthieno[2,3-d]pyrimidine
CID 2531878
4-Chloro-2-methyl-6-phenylthieno[2,3-d]pyrimidine
CID 704026

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine?
The IUPAC name of 4-chloro-5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine (CID 3759524) is 4-chloro-5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-chloro-5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine?
The canonical SMILES for 4-chloro-5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine is Clc1nc(-c2cccnc2)nc2scc(-c3ccccc3)c12.
What is the InChIKey of 4-chloro-5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine?
The InChIKey is PXYHWAQBHXHCJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClN3S/c18-15-14-13(11-5-2-1-3-6-11)10-22-17(14)21-16(20-15)12-7-4-8-19-9-12/h1-10H.
What are the key properties of 4-chloro-5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine?
4-chloro-5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine has a molecular weight of 323.81 g/mol, XLogP of 5.07, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 3759524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).