2-N,4-N,5-tribenzylpyrimidine-2,4-diamine

C25H24N4 — CID 95560173

IUPAC2-N,4-N,5-tribenzylpyrimidine-2,4-diamine
SMILESc1ccc(CNc2ncc(Cc3ccccc3)c(NCc3ccccc3)n2)cc1
InChIInChI=1S/C25H24N4/c1-4-10-20(11-5-1)16-23-19-28-25(27-18-22-14-8-3-9-15-22)29-24(23)26-17-21-12-6-2-7-13-21/h1-15,19H,16-18H2,(H2,26,27,28,29)
InChIKeyWTQYCXZVSOCSMG-UHFFFAOYSA-N
MW380.50 g/mol
LogP5.29
Rot. Bonds8

About 2-N,4-N,5-tribenzylpyrimidine-2,4-diamine

2-N,4-N,5-tribenzylpyrimidine-2,4-diamine (PubChem CID 95560173) has the molecular formula C25H24N4 and a molecular weight of 380.50 g/mol. Its IUPAC name is 2-N,4-N,5-tribenzylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N,5-tribenzylpyrimidine-2,4-diamine
PubChem CID95560173
Molecular FormulaC25H24N4
Molecular Weight380.50 g/mol
Exact Mass380.20
IUPAC Name2-N,4-N,5-tribenzylpyrimidine-2,4-diamine
SMILESc1ccc(CNc2ncc(Cc3ccccc3)c(NCc3ccccc3)n2)cc1
InChIInChI=1S/C25H24N4/c1-4-10-20(11-5-1)16-23-19-28-25(27-18-22-14-8-3-9-15-22)29-24(23)26-17-21-12-6-2-7-13-21/h1-15,19H,16-18H2,(H2,26,27,28,29)
InChIKeyWTQYCXZVSOCSMG-UHFFFAOYSA-N
XLogP5.29
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.50
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-N,4-N,5-tribenzylpyrimidine-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 2-N,4-N,5-tribenzylpyrimidine-2,4-diamine?
The IUPAC name of 2-N,4-N,5-tribenzylpyrimidine-2,4-diamine (CID 95560173) is 2-N,4-N,5-tribenzylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,4-N,5-tribenzylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N,4-N,5-tribenzylpyrimidine-2,4-diamine is c1ccc(CNc2ncc(Cc3ccccc3)c(NCc3ccccc3)n2)cc1.
What is the InChIKey of 2-N,4-N,5-tribenzylpyrimidine-2,4-diamine?
The InChIKey is WTQYCXZVSOCSMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4/c1-4-10-20(11-5-1)16-23-19-28-25(27-18-22-14-8-3-9-15-22)29-24(23)26-17-21-12-6-2-7-13-21/h1-15,19H,16-18H2,(H2,26,27,28,29).
What are the key properties of 2-N,4-N,5-tribenzylpyrimidine-2,4-diamine?
2-N,4-N,5-tribenzylpyrimidine-2,4-diamine has a molecular weight of 380.50 g/mol, XLogP of 5.29, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N,5-tribenzylpyrimidine-2,4-diamine is sourced from PubChem (CID 95560173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).