5-(1-phenyltetrazol-5-yl)-2-pyridin-3-yl-4-thiophen-2-ylpyrimidine

C20H13N7S — CID 1046840

IUPAC5-(1-phenyltetrazol-5-yl)-2-pyridin-3-yl-4-thiophen-2-ylpyrimidine
SMILESc1ccc(-n2nnnc2-c2cnc(-c3cccnc3)nc2-c2cccs2)cc1
InChIInChI=1S/C20H13N7S/c1-2-7-15(8-3-1)27-20(24-25-26-27)16-13-22-19(14-6-4-10-21-12-14)23-18(16)17-9-5-11-28-17/h1-13H
InChIKeyBYEVSHKAMLDJTH-UHFFFAOYSA-N
MW383.44 g/mol
LogP3.91
Rot. Bonds4

About 5-(1-phenyltetrazol-5-yl)-2-pyridin-3-yl-4-thiophen-2-ylpyrimidine

5-(1-phenyltetrazol-5-yl)-2-pyridin-3-yl-4-thiophen-2-ylpyrimidine (PubChem CID 1046840) has the molecular formula C20H13N7S and a molecular weight of 383.44 g/mol. Its IUPAC name is 5-(1-phenyltetrazol-5-yl)-2-pyridin-3-yl-4-thiophen-2-ylpyrimidine.

Molecular Properties

Compound Name5-(1-phenyltetrazol-5-yl)-2-pyridin-3-yl-4-thiophen-2-ylpyrimidine
PubChem CID1046840
Molecular FormulaC20H13N7S
Molecular Weight383.44 g/mol
Exact Mass383.10
IUPAC Name5-(1-phenyltetrazol-5-yl)-2-pyridin-3-yl-4-thiophen-2-ylpyrimidine
SMILESc1ccc(-n2nnnc2-c2cnc(-c3cccnc3)nc2-c2cccs2)cc1
InChIInChI=1S/C20H13N7S/c1-2-7-15(8-3-1)27-20(24-25-26-27)16-13-22-19(14-6-4-10-21-12-14)23-18(16)17-9-5-11-28-17/h1-13H
InChIKeyBYEVSHKAMLDJTH-UHFFFAOYSA-N
XLogP3.91
TPSA82.27 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.44
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(1-phenyltetrazol-5-yl)-2-pyridin-3-yl-4-thiophen-2-ylpyrimidine?
The IUPAC name of 5-(1-phenyltetrazol-5-yl)-2-pyridin-3-yl-4-thiophen-2-ylpyrimidine (CID 1046840) is 5-(1-phenyltetrazol-5-yl)-2-pyridin-3-yl-4-thiophen-2-ylpyrimidine.
What is the SMILES notation for 5-(1-phenyltetrazol-5-yl)-2-pyridin-3-yl-4-thiophen-2-ylpyrimidine?
The canonical SMILES for 5-(1-phenyltetrazol-5-yl)-2-pyridin-3-yl-4-thiophen-2-ylpyrimidine is c1ccc(-n2nnnc2-c2cnc(-c3cccnc3)nc2-c2cccs2)cc1.
What is the InChIKey of 5-(1-phenyltetrazol-5-yl)-2-pyridin-3-yl-4-thiophen-2-ylpyrimidine?
The InChIKey is BYEVSHKAMLDJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N7S/c1-2-7-15(8-3-1)27-20(24-25-26-27)16-13-22-19(14-6-4-10-21-12-14)23-18(16)17-9-5-11-28-17/h1-13H.
What are the key properties of 5-(1-phenyltetrazol-5-yl)-2-pyridin-3-yl-4-thiophen-2-ylpyrimidine?
5-(1-phenyltetrazol-5-yl)-2-pyridin-3-yl-4-thiophen-2-ylpyrimidine has a molecular weight of 383.44 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-phenyltetrazol-5-yl)-2-pyridin-3-yl-4-thiophen-2-ylpyrimidine is sourced from PubChem (CID 1046840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).