5-[1-(4-ethylphenyl)tetrazol-5-yl]-4-phenylpyrimidin-2-amine

C19H17N7 — CID 3610610

IUPAC5-[1-(4-ethylphenyl)tetrazol-5-yl]-4-phenylpyrimidin-2-amine
SMILESCCc1ccc(-n2nnnc2-c2cnc(N)nc2-c2ccccc2)cc1
InChIInChI=1S/C19H17N7/c1-2-13-8-10-15(11-9-13)26-18(23-24-25-26)16-12-21-19(20)22-17(16)14-6-4-3-5-7-14/h3-12H,2H2,1H3,(H2,20,21,22)
InChIKeyHKWOOAWGXGYDJW-UHFFFAOYSA-N
MW343.39 g/mol
LogP2.93
Rot. Bonds4

About 5-[1-(4-ethylphenyl)tetrazol-5-yl]-4-phenylpyrimidin-2-amine

5-[1-(4-ethylphenyl)tetrazol-5-yl]-4-phenylpyrimidin-2-amine (PubChem CID 3610610) has the molecular formula C19H17N7 and a molecular weight of 343.39 g/mol. Its IUPAC name is 5-[1-(4-ethylphenyl)tetrazol-5-yl]-4-phenylpyrimidin-2-amine.

Molecular Properties

Compound Name5-[1-(4-ethylphenyl)tetrazol-5-yl]-4-phenylpyrimidin-2-amine
PubChem CID3610610
Molecular FormulaC19H17N7
Molecular Weight343.39 g/mol
Exact Mass343.15
IUPAC Name5-[1-(4-ethylphenyl)tetrazol-5-yl]-4-phenylpyrimidin-2-amine
SMILESCCc1ccc(-n2nnnc2-c2cnc(N)nc2-c2ccccc2)cc1
InChIInChI=1S/C19H17N7/c1-2-13-8-10-15(11-9-13)26-18(23-24-25-26)16-12-21-19(20)22-17(16)14-6-4-3-5-7-14/h3-12H,2H2,1H3,(H2,20,21,22)
InChIKeyHKWOOAWGXGYDJW-UHFFFAOYSA-N
XLogP2.93
TPSA95.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[1-(4-ethylphenyl)tetrazol-5-yl]-4-phenylpyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[1-(4-methylphenyl)tetrazol-5-yl]-4-phenylpyrimidin-2-amine
CID 2825873
4-(4-chlorophenyl)-5-[1-(4-methylphenyl)tetrazol-5-yl]pyrimidin-2-amine
CID 2825682
5-[1-(4-chlorophenyl)tetrazol-5-yl]-4-methylpyrimidin-2-amine
CID 2825835
4-[5-(4-ethylphenyl)tetrazol-1-yl]phenol
CID 122501235
5-[1-(4-fluorophenyl)tetrazol-5-yl]-4-methyl-2-phenylpyrimidine
CID 15123640
4-(3-chlorophenyl)-2-methyl-5-(1-phenyltetrazol-5-yl)pyrimidine
CID 2801876
4-(3-chlorophenyl)-2-phenyl-5-(1-phenyltetrazol-5-yl)pyrimidine
CID 2801877
5-[1-(4-chlorophenyl)tetrazol-5-yl]-4-(3-fluorophenyl)-N-methylpyrimidin-2-amine
CID 27001624
4-[1-(4-propylphenyl)tetrazol-5-yl]aniline
CID 61352802
1-(4-methylphenyl)-5-(5-phenyl-1H-pyrazol-4-yl)tetrazole
CID 2729163
[4-(2-amino-6-phenylpyrido[2,3-d]pyrimidin-7-yl)phenyl]methylazanium
CID 58524836
4-phenylpyrimidine-2,5-diamine
CID 89253384

Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-ethylphenyl)tetrazol-5-yl]-4-phenylpyrimidin-2-amine?
The IUPAC name of 5-[1-(4-ethylphenyl)tetrazol-5-yl]-4-phenylpyrimidin-2-amine (CID 3610610) is 5-[1-(4-ethylphenyl)tetrazol-5-yl]-4-phenylpyrimidin-2-amine.
What is the SMILES notation for 5-[1-(4-ethylphenyl)tetrazol-5-yl]-4-phenylpyrimidin-2-amine?
The canonical SMILES for 5-[1-(4-ethylphenyl)tetrazol-5-yl]-4-phenylpyrimidin-2-amine is CCc1ccc(-n2nnnc2-c2cnc(N)nc2-c2ccccc2)cc1.
What is the InChIKey of 5-[1-(4-ethylphenyl)tetrazol-5-yl]-4-phenylpyrimidin-2-amine?
The InChIKey is HKWOOAWGXGYDJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N7/c1-2-13-8-10-15(11-9-13)26-18(23-24-25-26)16-12-21-19(20)22-17(16)14-6-4-3-5-7-14/h3-12H,2H2,1H3,(H2,20,21,22).
What are the key properties of 5-[1-(4-ethylphenyl)tetrazol-5-yl]-4-phenylpyrimidin-2-amine?
5-[1-(4-ethylphenyl)tetrazol-5-yl]-4-phenylpyrimidin-2-amine has a molecular weight of 343.39 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-ethylphenyl)tetrazol-5-yl]-4-phenylpyrimidin-2-amine is sourced from PubChem (CID 3610610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).