2-N,4-N-bis(3,5-dimethylphenyl)-6-N-ethyl-1,3,5-triazine-2,4,6-triamine

C21H26N6 — CID 102301037

IUPAC2-N,4-N-bis(3,5-dimethylphenyl)-6-N-ethyl-1,3,5-triazine-2,4,6-triamine
SMILESCCNc1nc(Nc2cc(C)cc(C)c2)nc(Nc2cc(C)cc(C)c2)n1
InChIInChI=1S/C21H26N6/c1-6-22-19-25-20(23-17-9-13(2)7-14(3)10-17)27-21(26-19)24-18-11-15(4)8-16(5)12-18/h7-12H,6H2,1-5H3,(H3,22,23,24,25,26,27)
InChIKeyMWRCOURFPAGOTI-UHFFFAOYSA-N
MW362.48 g/mol
LogP5.02
Rot. Bonds6

About 2-N,4-N-bis(3,5-dimethylphenyl)-6-N-ethyl-1,3,5-triazine-2,4,6-triamine

2-N,4-N-bis(3,5-dimethylphenyl)-6-N-ethyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 102301037) has the molecular formula C21H26N6 and a molecular weight of 362.48 g/mol. Its IUPAC name is 2-N,4-N-bis(3,5-dimethylphenyl)-6-N-ethyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,4-N-bis(3,5-dimethylphenyl)-6-N-ethyl-1,3,5-triazine-2,4,6-triamine
PubChem CID102301037
Molecular FormulaC21H26N6
Molecular Weight362.48 g/mol
Exact Mass362.22
IUPAC Name2-N,4-N-bis(3,5-dimethylphenyl)-6-N-ethyl-1,3,5-triazine-2,4,6-triamine
SMILESCCNc1nc(Nc2cc(C)cc(C)c2)nc(Nc2cc(C)cc(C)c2)n1
InChIInChI=1S/C21H26N6/c1-6-22-19-25-20(23-17-9-13(2)7-14(3)10-17)27-21(26-19)24-18-11-15(4)8-16(5)12-18/h7-12H,6H2,1-5H3,(H3,22,23,24,25,26,27)
InChIKeyMWRCOURFPAGOTI-UHFFFAOYSA-N
XLogP5.02
TPSA74.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.48
LogP ≤ 55.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-N,4-N-bis(3,5-dimethylphenyl)-6-N-ethyl-1,3,5-triazine-2,4,6-triamine with MolForge

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Related Compounds

4-({4-[(2,4,6-Trimethylphenyl)amino]-1,3,5-triazin-2-yl}amino)benzonitrile
CID 486449
4-[[4-Amino-6-(2,4,6-trimethylanilino)-1,3,5-triazin-2-yl]amino]benzonitrile
CID 486407
4-[[4-(4-Cyanoanilino)-1,3,5-triazin-2-yl]amino]-3,5-dimethyl-benzonitrile
CID 486452
4-[[4-Chloro-6-(2,4,6-trimethylanilino)-1,3,5-triazin-2-yl]amino]benzonitrile
CID 505445
4-[[4-Amino-6-(2,6-dimethylanilino)-1,3,5-triazin-2-yl]amino]benzonitrile
CID 505481
4-[[4-amino-6-(N,2,4,6-tetramethylanilino)-1,3,5-triazin-2-yl]amino]benzonitrile
CID 505529
N2,N2-dimethyl-N4-(2-propylphenyl)-1,3,5-triazine-2,4,6-triamine hydrochloride
CID 71584599
N-(3,5-dimethylphenyl)-1,3,5-triazaspiro[5.5]undeca-1,4-diene-2,4-diamine
CID 2267077
4-(Cyclopentylamino)-6-(m-tolylamino)-1,3,5-triazine-2-carbonitrile
CID 44459971
N2,N4-bis(2,4,6-trimethylphenyl)-1,3,5-triazine-2,4,6-triamine
CID 86574097
4-[[4-Chloro-6-(2,6-dimethylanilino)-1,3,5-triazin-2-yl]amino]benzonitrile
CID 89560481
N-o-Tolyl-[1,3,5]triazine-2,4-diamine
CID 704942

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-bis(3,5-dimethylphenyl)-6-N-ethyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,4-N-bis(3,5-dimethylphenyl)-6-N-ethyl-1,3,5-triazine-2,4,6-triamine (CID 102301037) is 2-N,4-N-bis(3,5-dimethylphenyl)-6-N-ethyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,4-N-bis(3,5-dimethylphenyl)-6-N-ethyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,4-N-bis(3,5-dimethylphenyl)-6-N-ethyl-1,3,5-triazine-2,4,6-triamine is CCNc1nc(Nc2cc(C)cc(C)c2)nc(Nc2cc(C)cc(C)c2)n1.
What is the InChIKey of 2-N,4-N-bis(3,5-dimethylphenyl)-6-N-ethyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is MWRCOURFPAGOTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6/c1-6-22-19-25-20(23-17-9-13(2)7-14(3)10-17)27-21(26-19)24-18-11-15(4)8-16(5)12-18/h7-12H,6H2,1-5H3,(H3,22,23,24,25,26,27).
What are the key properties of 2-N,4-N-bis(3,5-dimethylphenyl)-6-N-ethyl-1,3,5-triazine-2,4,6-triamine?
2-N,4-N-bis(3,5-dimethylphenyl)-6-N-ethyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 362.48 g/mol, XLogP of 5.02, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-bis(3,5-dimethylphenyl)-6-N-ethyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 102301037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).