4-ethyl-6-(4-methylpiperazin-1-yl)-N-[4-(4-phenylphenyl)pyrimidin-2-yl]-1,3,5-triazin-2-amine

C26H28N8 — CID 70815931

IUPAC4-ethyl-6-(4-methylpiperazin-1-yl)-N-[4-(4-phenylphenyl)pyrimidin-2-yl]-1,3,5-triazin-2-amine
SMILESCCc1nc(Nc2nccc(-c3ccc(-c4ccccc4)cc3)n2)nc(N2CCN(C)CC2)n1
InChIInChI=1S/C26H28N8/c1-3-23-29-25(32-26(30-23)34-17-15-33(2)16-18-34)31-24-27-14-13-22(28-24)21-11-9-20(10-12-21)19-7-5-4-6-8-19/h4-14H,3,15-18H2,1-2H3,(H,27,28,29,30,31,32)
InChIKeyNGVNJFKUMHSPCY-UHFFFAOYSA-N
MW452.57 g/mol
LogP4.05
Rot. Bonds6

About 4-ethyl-6-(4-methylpiperazin-1-yl)-N-[4-(4-phenylphenyl)pyrimidin-2-yl]-1,3,5-triazin-2-amine

4-ethyl-6-(4-methylpiperazin-1-yl)-N-[4-(4-phenylphenyl)pyrimidin-2-yl]-1,3,5-triazin-2-amine (PubChem CID 70815931) has the molecular formula C26H28N8 and a molecular weight of 452.57 g/mol. Its IUPAC name is 4-ethyl-6-(4-methylpiperazin-1-yl)-N-[4-(4-phenylphenyl)pyrimidin-2-yl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-ethyl-6-(4-methylpiperazin-1-yl)-N-[4-(4-phenylphenyl)pyrimidin-2-yl]-1,3,5-triazin-2-amine
PubChem CID70815931
Molecular FormulaC26H28N8
Molecular Weight452.57 g/mol
Exact Mass452.24
IUPAC Name4-ethyl-6-(4-methylpiperazin-1-yl)-N-[4-(4-phenylphenyl)pyrimidin-2-yl]-1,3,5-triazin-2-amine
SMILESCCc1nc(Nc2nccc(-c3ccc(-c4ccccc4)cc3)n2)nc(N2CCN(C)CC2)n1
InChIInChI=1S/C26H28N8/c1-3-23-29-25(32-26(30-23)34-17-15-33(2)16-18-34)31-24-27-14-13-22(28-24)21-11-9-20(10-12-21)19-7-5-4-6-8-19/h4-14H,3,15-18H2,1-2H3,(H,27,28,29,30,31,32)
InChIKeyNGVNJFKUMHSPCY-UHFFFAOYSA-N
XLogP4.05
TPSA82.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.57
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-ethyl-6-(4-methylpiperazin-1-yl)-N-[4-(4-phenylphenyl)pyrimidin-2-yl]-1,3,5-triazin-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

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6-(4-methylpiperazin-1-yl)-N-[4-(4-phenylphenyl)pyrimidin-2-yl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-ethyl-6-(4-methylpiperazin-1-yl)-N-[4-(4-phenylphenyl)pyrimidin-2-yl]-1,3,5-triazin-2-amine (CID 70815931) is 4-ethyl-6-(4-methylpiperazin-1-yl)-N-[4-(4-phenylphenyl)pyrimidin-2-yl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-ethyl-6-(4-methylpiperazin-1-yl)-N-[4-(4-phenylphenyl)pyrimidin-2-yl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-ethyl-6-(4-methylpiperazin-1-yl)-N-[4-(4-phenylphenyl)pyrimidin-2-yl]-1,3,5-triazin-2-amine is CCc1nc(Nc2nccc(-c3ccc(-c4ccccc4)cc3)n2)nc(N2CCN(C)CC2)n1.
What is the InChIKey of 4-ethyl-6-(4-methylpiperazin-1-yl)-N-[4-(4-phenylphenyl)pyrimidin-2-yl]-1,3,5-triazin-2-amine?
The InChIKey is NGVNJFKUMHSPCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N8/c1-3-23-29-25(32-26(30-23)34-17-15-33(2)16-18-34)31-24-27-14-13-22(28-24)21-11-9-20(10-12-21)19-7-5-4-6-8-19/h4-14H,3,15-18H2,1-2H3,(H,27,28,29,30,31,32).
What are the key properties of 4-ethyl-6-(4-methylpiperazin-1-yl)-N-[4-(4-phenylphenyl)pyrimidin-2-yl]-1,3,5-triazin-2-amine?
4-ethyl-6-(4-methylpiperazin-1-yl)-N-[4-(4-phenylphenyl)pyrimidin-2-yl]-1,3,5-triazin-2-amine has a molecular weight of 452.57 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6-(4-methylpiperazin-1-yl)-N-[4-(4-phenylphenyl)pyrimidin-2-yl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 70815931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).