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

C21H25N7 — CID 24877203

IUPAC2-N-(3,5-dimethylphenyl)-4-N-phenyl-6-piperazin-1-yl-1,3,5-triazine-2,4-diamine
SMILESCc1cc(C)cc(Nc2nc(Nc3ccccc3)nc(N3CCNCC3)n2)c1
InChIInChI=1S/C21H25N7/c1-15-12-16(2)14-18(13-15)24-20-25-19(23-17-6-4-3-5-7-17)26-21(27-20)28-10-8-22-9-11-28/h3-7,12-14,22H,8-11H2,1-2H3,(H2,23,24,25,26,27)
InChIKeyFTKKQNRIHLZWTQ-UHFFFAOYSA-N
MW375.48 g/mol
LogP3.39
Rot. Bonds5

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

2-N-(3,5-dimethylphenyl)-4-N-phenyl-6-piperazin-1-yl-1,3,5-triazine-2,4-diamine (PubChem CID 24877203) has the molecular formula C21H25N7 and a molecular weight of 375.48 g/mol. Its IUPAC name is 2-N-(3,5-dimethylphenyl)-4-N-phenyl-6-piperazin-1-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(3,5-dimethylphenyl)-4-N-phenyl-6-piperazin-1-yl-1,3,5-triazine-2,4-diamine
PubChem CID24877203
Molecular FormulaC21H25N7
Molecular Weight375.48 g/mol
Exact Mass375.22
IUPAC Name2-N-(3,5-dimethylphenyl)-4-N-phenyl-6-piperazin-1-yl-1,3,5-triazine-2,4-diamine
SMILESCc1cc(C)cc(Nc2nc(Nc3ccccc3)nc(N3CCNCC3)n2)c1
InChIInChI=1S/C21H25N7/c1-15-12-16(2)14-18(13-15)24-20-25-19(23-17-6-4-3-5-7-17)26-21(27-20)28-10-8-22-9-11-28/h3-7,12-14,22H,8-11H2,1-2H3,(H2,23,24,25,26,27)
InChIKeyFTKKQNRIHLZWTQ-UHFFFAOYSA-N
XLogP3.39
TPSA78.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-N,4-N-bis(3,5-dimethylphenyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 18584592
2-N-(4-ethoxyphenyl)-4-N-phenyl-6-piperazin-1-yl-1,3,5-triazine-2,4-diamine
CID 24877079
2-N-(3-methylphenyl)-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine;hydrochloride
CID 18580405
2-N-(3,5-dimethylphenyl)-4-N-(3-fluorophenyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 35024765
2-N-(2,5-dimethylphenyl)-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine
CID 39847761
2-N-[(E)-3H-inden-1-ylmethylideneamino]-4-N-(4-methylphenyl)-6-piperazin-1-yl-1,3,5-triazine-2,4-diamine
CID 172920458
4-chloro-N-(3,5-dimethylphenyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 171851124
2-N,4-N-bis[4-[(3,5-dimethylphenyl)diazenyl]phenyl]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 20762407
4-[2-(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)-1,2-diphenylethenyl]-6-morpholin-4-yl-N-phenyl-1,3,5-triazin-2-amine
CID 70504908
5-[(4-anilino-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-2-[2-[4-[(4-anilino-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-2-(trioxidanylsulfanyl)phenyl]ethenyl]benzenesulfonic acid
CID 72624830
N-(3,5-dimethylphenyl)-4-(6-piperazin-1-yl-3-pyridinyl)pyrimidin-2-amine
CID 18545620
4-[[4-[4-[4-(4-cyanoanilino)-6-(2,6-dibromo-4-methylanilino)-1,3,5-triazin-2-yl]piperazin-1-yl]-6-(2,4,6-trimethylanilino)-1,3,5-triazin-2-yl]amino]benzonitrile
CID 71454313

Frequently Asked Questions

What is the IUPAC name of 2-N-(3,5-dimethylphenyl)-4-N-phenyl-6-piperazin-1-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(3,5-dimethylphenyl)-4-N-phenyl-6-piperazin-1-yl-1,3,5-triazine-2,4-diamine (CID 24877203) is 2-N-(3,5-dimethylphenyl)-4-N-phenyl-6-piperazin-1-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(3,5-dimethylphenyl)-4-N-phenyl-6-piperazin-1-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(3,5-dimethylphenyl)-4-N-phenyl-6-piperazin-1-yl-1,3,5-triazine-2,4-diamine is Cc1cc(C)cc(Nc2nc(Nc3ccccc3)nc(N3CCNCC3)n2)c1.
What is the InChIKey of 2-N-(3,5-dimethylphenyl)-4-N-phenyl-6-piperazin-1-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is FTKKQNRIHLZWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7/c1-15-12-16(2)14-18(13-15)24-20-25-19(23-17-6-4-3-5-7-17)26-21(27-20)28-10-8-22-9-11-28/h3-7,12-14,22H,8-11H2,1-2H3,(H2,23,24,25,26,27).
What are the key properties of 2-N-(3,5-dimethylphenyl)-4-N-phenyl-6-piperazin-1-yl-1,3,5-triazine-2,4-diamine?
2-N-(3,5-dimethylphenyl)-4-N-phenyl-6-piperazin-1-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 375.48 g/mol, XLogP of 3.39, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3,5-dimethylphenyl)-4-N-phenyl-6-piperazin-1-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 24877203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).