2-N-(4-ethoxyphenyl)-4-N-phenyl-6-piperazin-1-yl-1,3,5-triazine-2,4-diamine

C21H25N7O — CID 24877079

IUPAC2-N-(4-ethoxyphenyl)-4-N-phenyl-6-piperazin-1-yl-1,3,5-triazine-2,4-diamine
SMILESCCOc1ccc(Nc2nc(Nc3ccccc3)nc(N3CCNCC3)n2)cc1
InChIInChI=1S/C21H25N7O/c1-2-29-18-10-8-17(9-11-18)24-20-25-19(23-16-6-4-3-5-7-16)26-21(27-20)28-14-12-22-13-15-28/h3-11,22H,2,12-15H2,1H3,(H2,23,24,25,26,27)
InChIKeyGNYVNPPVUSZPMJ-UHFFFAOYSA-N
MW391.48 g/mol
LogP3.17
Rot. Bonds7

About 2-N-(4-ethoxyphenyl)-4-N-phenyl-6-piperazin-1-yl-1,3,5-triazine-2,4-diamine

2-N-(4-ethoxyphenyl)-4-N-phenyl-6-piperazin-1-yl-1,3,5-triazine-2,4-diamine (PubChem CID 24877079) has the molecular formula C21H25N7O and a molecular weight of 391.48 g/mol. Its IUPAC name is 2-N-(4-ethoxyphenyl)-4-N-phenyl-6-piperazin-1-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(4-ethoxyphenyl)-4-N-phenyl-6-piperazin-1-yl-1,3,5-triazine-2,4-diamine
PubChem CID24877079
Molecular FormulaC21H25N7O
Molecular Weight391.48 g/mol
Exact Mass391.21
IUPAC Name2-N-(4-ethoxyphenyl)-4-N-phenyl-6-piperazin-1-yl-1,3,5-triazine-2,4-diamine
SMILESCCOc1ccc(Nc2nc(Nc3ccccc3)nc(N3CCNCC3)n2)cc1
InChIInChI=1S/C21H25N7O/c1-2-29-18-10-8-17(9-11-18)24-20-25-19(23-16-6-4-3-5-7-16)26-21(27-20)28-14-12-22-13-15-28/h3-11,22H,2,12-15H2,1H3,(H2,23,24,25,26,27)
InChIKeyGNYVNPPVUSZPMJ-UHFFFAOYSA-N
XLogP3.17
TPSA87.23 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-N-(4-ethoxyphenyl)-4-N-phenyl-6-piperazin-1-yl-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

2-N-(4-ethoxyphenyl)-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine;hydrochloride
CID 18580366
2-N-(3,5-dimethylphenyl)-4-N-phenyl-6-piperazin-1-yl-1,3,5-triazine-2,4-diamine
CID 24877203
1-[3-[[4-(4-ethoxyanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]phenyl]ethanone
CID 18580169
2-N-[(3,4-diethoxyphenyl)methylideneamino]-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine
CID 3647634
N-(4-ethoxyphenyl)-4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine
CID 112936319
2-N-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine
CID 6245512
2-N-[(E)-3H-inden-1-ylmethylideneamino]-4-N-(4-methylphenyl)-6-piperazin-1-yl-1,3,5-triazine-2,4-diamine
CID 172920458
2-N-(2-ethylphenyl)-4-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 42477739
2-N-(4-ethoxyphenyl)quinazoline-2,4-diamine;hydrochloride
CID 2952997
1-(3-ethoxyphenyl)piperazine
CID 14519634
2-N-[(Z)-[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine
CID 98078340
azane;N-(4-hexoxyphenyl)-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine;molecular hydrogen;hydrochloride
CID 158226737

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-ethoxyphenyl)-4-N-phenyl-6-piperazin-1-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(4-ethoxyphenyl)-4-N-phenyl-6-piperazin-1-yl-1,3,5-triazine-2,4-diamine (CID 24877079) is 2-N-(4-ethoxyphenyl)-4-N-phenyl-6-piperazin-1-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(4-ethoxyphenyl)-4-N-phenyl-6-piperazin-1-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(4-ethoxyphenyl)-4-N-phenyl-6-piperazin-1-yl-1,3,5-triazine-2,4-diamine is CCOc1ccc(Nc2nc(Nc3ccccc3)nc(N3CCNCC3)n2)cc1.
What is the InChIKey of 2-N-(4-ethoxyphenyl)-4-N-phenyl-6-piperazin-1-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is GNYVNPPVUSZPMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7O/c1-2-29-18-10-8-17(9-11-18)24-20-25-19(23-16-6-4-3-5-7-16)26-21(27-20)28-14-12-22-13-15-28/h3-11,22H,2,12-15H2,1H3,(H2,23,24,25,26,27).
What are the key properties of 2-N-(4-ethoxyphenyl)-4-N-phenyl-6-piperazin-1-yl-1,3,5-triazine-2,4-diamine?
2-N-(4-ethoxyphenyl)-4-N-phenyl-6-piperazin-1-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 391.48 g/mol, XLogP of 3.17, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-ethoxyphenyl)-4-N-phenyl-6-piperazin-1-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 24877079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).