4-N-(2-chlorophenyl)-2-N-[4-(2H-tetrazol-5-yl)phenyl]pyrimidine-2,4-diamine

C17H13ClN8 — CID 56587967

IUPAC4-N-(2-chlorophenyl)-2-N-[4-(2H-tetrazol-5-yl)phenyl]pyrimidine-2,4-diamine
SMILESClc1ccccc1Nc1ccnc(Nc2ccc(-c3nn[nH]n3)cc2)n1
InChIInChI=1S/C17H13ClN8/c18-13-3-1-2-4-14(13)21-15-9-10-19-17(22-15)20-12-7-5-11(6-8-12)16-23-25-26-24-16/h1-10H,(H2,19,20,21,22)(H,23,24,25,26)
InChIKeyGADYBZMYJCZJLX-UHFFFAOYSA-N
MW364.80 g/mol
LogP3.80
Rot. Bonds5

About 4-N-(2-chlorophenyl)-2-N-[4-(2H-tetrazol-5-yl)phenyl]pyrimidine-2,4-diamine

4-N-(2-chlorophenyl)-2-N-[4-(2H-tetrazol-5-yl)phenyl]pyrimidine-2,4-diamine (PubChem CID 56587967) has the molecular formula C17H13ClN8 and a molecular weight of 364.80 g/mol. Its IUPAC name is 4-N-(2-chlorophenyl)-2-N-[4-(2H-tetrazol-5-yl)phenyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-chlorophenyl)-2-N-[4-(2H-tetrazol-5-yl)phenyl]pyrimidine-2,4-diamine
PubChem CID56587967
Molecular FormulaC17H13ClN8
Molecular Weight364.80 g/mol
Exact Mass364.10
IUPAC Name4-N-(2-chlorophenyl)-2-N-[4-(2H-tetrazol-5-yl)phenyl]pyrimidine-2,4-diamine
SMILESClc1ccccc1Nc1ccnc(Nc2ccc(-c3nn[nH]n3)cc2)n1
InChIInChI=1S/C17H13ClN8/c18-13-3-1-2-4-14(13)21-15-9-10-19-17(22-15)20-12-7-5-11(6-8-12)16-23-25-26-24-16/h1-10H,(H2,19,20,21,22)(H,23,24,25,26)
InChIKeyGADYBZMYJCZJLX-UHFFFAOYSA-N
XLogP3.80
TPSA104.30 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.80
LogP ≤ 53.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-N-(2-chlorophenyl)-2-N-[4-(2H-tetrazol-5-yl)phenyl]pyrimidine-2,4-diamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-chlorophenyl)-2-N-[4-(2H-tetrazol-5-yl)phenyl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2-chlorophenyl)-2-N-[4-(2H-tetrazol-5-yl)phenyl]pyrimidine-2,4-diamine (CID 56587967) is 4-N-(2-chlorophenyl)-2-N-[4-(2H-tetrazol-5-yl)phenyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2-chlorophenyl)-2-N-[4-(2H-tetrazol-5-yl)phenyl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2-chlorophenyl)-2-N-[4-(2H-tetrazol-5-yl)phenyl]pyrimidine-2,4-diamine is Clc1ccccc1Nc1ccnc(Nc2ccc(-c3nn[nH]n3)cc2)n1.
What is the InChIKey of 4-N-(2-chlorophenyl)-2-N-[4-(2H-tetrazol-5-yl)phenyl]pyrimidine-2,4-diamine?
The InChIKey is GADYBZMYJCZJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN8/c18-13-3-1-2-4-14(13)21-15-9-10-19-17(22-15)20-12-7-5-11(6-8-12)16-23-25-26-24-16/h1-10H,(H2,19,20,21,22)(H,23,24,25,26).
What are the key properties of 4-N-(2-chlorophenyl)-2-N-[4-(2H-tetrazol-5-yl)phenyl]pyrimidine-2,4-diamine?
4-N-(2-chlorophenyl)-2-N-[4-(2H-tetrazol-5-yl)phenyl]pyrimidine-2,4-diamine has a molecular weight of 364.80 g/mol, XLogP of 3.80, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-chlorophenyl)-2-N-[4-(2H-tetrazol-5-yl)phenyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 56587967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).