4-(3-chlorophenyl)-2-phenyl-5-(1-phenyltetrazol-5-yl)pyrimidine

C23H15ClN6 — CID 2801877

IUPAC4-(3-chlorophenyl)-2-phenyl-5-(1-phenyltetrazol-5-yl)pyrimidine
SMILESClc1cccc(-c2nc(-c3ccccc3)ncc2-c2nnnn2-c2ccccc2)c1
InChIInChI=1S/C23H15ClN6/c24-18-11-7-10-17(14-18)21-20(15-25-22(26-21)16-8-3-1-4-9-16)23-27-28-29-30(23)19-12-5-2-6-13-19/h1-15H
InChIKeyUNMOEOQTWMTQJU-UHFFFAOYSA-N
MW410.87 g/mol
LogP5.11
Rot. Bonds4

About 4-(3-chlorophenyl)-2-phenyl-5-(1-phenyltetrazol-5-yl)pyrimidine

4-(3-chlorophenyl)-2-phenyl-5-(1-phenyltetrazol-5-yl)pyrimidine (PubChem CID 2801877) has the molecular formula C23H15ClN6 and a molecular weight of 410.87 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-2-phenyl-5-(1-phenyltetrazol-5-yl)pyrimidine.

Molecular Properties

Compound Name4-(3-chlorophenyl)-2-phenyl-5-(1-phenyltetrazol-5-yl)pyrimidine
PubChem CID2801877
Molecular FormulaC23H15ClN6
Molecular Weight410.87 g/mol
Exact Mass410.10
IUPAC Name4-(3-chlorophenyl)-2-phenyl-5-(1-phenyltetrazol-5-yl)pyrimidine
SMILESClc1cccc(-c2nc(-c3ccccc3)ncc2-c2nnnn2-c2ccccc2)c1
InChIInChI=1S/C23H15ClN6/c24-18-11-7-10-17(14-18)21-20(15-25-22(26-21)16-8-3-1-4-9-16)23-27-28-29-30(23)19-12-5-2-6-13-19/h1-15H
InChIKeyUNMOEOQTWMTQJU-UHFFFAOYSA-N
XLogP5.11
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.87
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3-chlorophenyl)-2-methyl-5-(1-phenyltetrazol-5-yl)pyrimidine
CID 2801876
2-(3,5-dichlorophenyl)-5-(1-phenyltetrazol-5-yl)-4-thiophen-2-ylpyrimidine
CID 27183279
1-(3-chlorophenyl)-5-phenyltetrazole
CID 854387
5-[1-(4-fluorophenyl)tetrazol-5-yl]-4-methyl-2-phenylpyrimidine
CID 15123640
5-[1-(4-chlorophenyl)tetrazol-5-yl]-4-(3-fluorophenyl)-N-methylpyrimidin-2-amine
CID 27001624
5-[1-(4-methylphenyl)tetrazol-5-yl]-4-phenylpyrimidin-2-amine
CID 2825873
6-chloro-3-[1-(4-methoxyphenyl)tetrazol-5-yl]-4-phenylquinoline
CID 1046837
5-[1-(4-ethylphenyl)tetrazol-5-yl]-4-phenylpyrimidin-2-amine
CID 3610610
4-(4-chlorophenyl)-5-[1-(4-methylphenyl)tetrazol-5-yl]pyrimidin-2-amine
CID 2825682
5-chloro-2-[1-(3-chlorophenyl)tetrazol-5-yl]aniline
CID 61352846
2-phenyl-4-(2-phenylphenyl)-5-[2-phenyl-4-(2-phenylphenyl)pyrimidin-5-yl]pyrimidine
CID 58947716
6,7-dimethoxy-4-methyl-3-(1-phenyltetrazol-5-yl)quinoline
CID 1210230

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-2-phenyl-5-(1-phenyltetrazol-5-yl)pyrimidine?
The IUPAC name of 4-(3-chlorophenyl)-2-phenyl-5-(1-phenyltetrazol-5-yl)pyrimidine (CID 2801877) is 4-(3-chlorophenyl)-2-phenyl-5-(1-phenyltetrazol-5-yl)pyrimidine.
What is the SMILES notation for 4-(3-chlorophenyl)-2-phenyl-5-(1-phenyltetrazol-5-yl)pyrimidine?
The canonical SMILES for 4-(3-chlorophenyl)-2-phenyl-5-(1-phenyltetrazol-5-yl)pyrimidine is Clc1cccc(-c2nc(-c3ccccc3)ncc2-c2nnnn2-c2ccccc2)c1.
What is the InChIKey of 4-(3-chlorophenyl)-2-phenyl-5-(1-phenyltetrazol-5-yl)pyrimidine?
The InChIKey is UNMOEOQTWMTQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClN6/c24-18-11-7-10-17(14-18)21-20(15-25-22(26-21)16-8-3-1-4-9-16)23-27-28-29-30(23)19-12-5-2-6-13-19/h1-15H.
What are the key properties of 4-(3-chlorophenyl)-2-phenyl-5-(1-phenyltetrazol-5-yl)pyrimidine?
4-(3-chlorophenyl)-2-phenyl-5-(1-phenyltetrazol-5-yl)pyrimidine has a molecular weight of 410.87 g/mol, XLogP of 5.11, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-2-phenyl-5-(1-phenyltetrazol-5-yl)pyrimidine is sourced from PubChem (CID 2801877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).