2-N,2-N-diethyl-4-N-(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine

C14H20N6 — CID 80755464

IUPAC2-N,2-N-diethyl-4-N-(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine
SMILESCCN(CC)c1nc(N)nc(Nc2cccc(C)c2)n1
InChIInChI=1S/C14H20N6/c1-4-20(5-2)14-18-12(15)17-13(19-14)16-11-8-6-7-10(3)9-11/h6-9H,4-5H2,1-3H3,(H3,15,16,17,18,19)
InChIKeyXLTSYWYIMBSKEZ-UHFFFAOYSA-N
MW272.36 g/mol
LogP2.35
Rot. Bonds5

About 2-N,2-N-diethyl-4-N-(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine

2-N,2-N-diethyl-4-N-(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 80755464) has the molecular formula C14H20N6 and a molecular weight of 272.36 g/mol. Its IUPAC name is 2-N,2-N-diethyl-4-N-(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,2-N-diethyl-4-N-(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine
PubChem CID80755464
Molecular FormulaC14H20N6
Molecular Weight272.36 g/mol
Exact Mass272.17
IUPAC Name2-N,2-N-diethyl-4-N-(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine
SMILESCCN(CC)c1nc(N)nc(Nc2cccc(C)c2)n1
InChIInChI=1S/C14H20N6/c1-4-20(5-2)14-18-12(15)17-13(19-14)16-11-8-6-7-10(3)9-11/h6-9H,4-5H2,1-3H3,(H3,15,16,17,18,19)
InChIKeyXLTSYWYIMBSKEZ-UHFFFAOYSA-N
XLogP2.35
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.36
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(3-bromo-4-chlorophenyl)-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine
CID 80838202
4-N-(4-chlorophenyl)-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine
CID 80760537
6-methoxy-2-N-(3-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 80754961
2-N,2-N-diethyl-4-N-(5-fluoro-2-methylphenyl)-1,3,5-triazine-2,4,6-triamine
CID 80751307
4-N-(2-bromo-4-fluorophenyl)-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine
CID 80748472
3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]phenol
CID 90254949
4-N-(2,4-difluorophenyl)-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine
CID 80738160
6-chloro-2-N,2-N-diethyl-4-N-(3-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 62868330
4-N-(4-chloro-2-iodophenyl)-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine
CID 107639126
6-bromo-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 116796334
2-N-(3-methylphenyl)-6-[(4-methylpiperazin-1-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 667134
2-N,2-N-dimethyl-4-N-(3-methylsulfanylphenyl)-1,3,5-triazine-2,4,6-triamine
CID 80768872

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-diethyl-4-N-(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,2-N-diethyl-4-N-(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine (CID 80755464) is 2-N,2-N-diethyl-4-N-(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,2-N-diethyl-4-N-(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,2-N-diethyl-4-N-(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine is CCN(CC)c1nc(N)nc(Nc2cccc(C)c2)n1.
What is the InChIKey of 2-N,2-N-diethyl-4-N-(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is XLTSYWYIMBSKEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6/c1-4-20(5-2)14-18-12(15)17-13(19-14)16-11-8-6-7-10(3)9-11/h6-9H,4-5H2,1-3H3,(H3,15,16,17,18,19).
What are the key properties of 2-N,2-N-diethyl-4-N-(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine?
2-N,2-N-diethyl-4-N-(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 272.36 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-diethyl-4-N-(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 80755464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).