2-N-benzyl-4-N,6-N-diethyl-1,3,5-triazine-2,4,6-triamine

C14H20N6 — CID 7589426

IUPAC2-N-benzyl-4-N,6-N-diethyl-1,3,5-triazine-2,4,6-triamine
SMILESCCNc1nc(NCC)nc(NCc2ccccc2)n1
InChIInChI=1S/C14H20N6/c1-3-15-12-18-13(16-4-2)20-14(19-12)17-10-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3,(H3,15,16,17,18,19,20)
InChIKeyGKFKIBLBHBKALP-UHFFFAOYSA-N
MW272.36 g/mol
LogP2.35
Rot. Bonds7

About 2-N-benzyl-4-N,6-N-diethyl-1,3,5-triazine-2,4,6-triamine

2-N-benzyl-4-N,6-N-diethyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 7589426) has the molecular formula C14H20N6 and a molecular weight of 272.36 g/mol. Its IUPAC name is 2-N-benzyl-4-N,6-N-diethyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N-benzyl-4-N,6-N-diethyl-1,3,5-triazine-2,4,6-triamine
PubChem CID7589426
Molecular FormulaC14H20N6
Molecular Weight272.36 g/mol
Exact Mass272.17
IUPAC Name2-N-benzyl-4-N,6-N-diethyl-1,3,5-triazine-2,4,6-triamine
SMILESCCNc1nc(NCC)nc(NCc2ccccc2)n1
InChIInChI=1S/C14H20N6/c1-3-15-12-18-13(16-4-2)20-14(19-12)17-10-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3,(H3,15,16,17,18,19,20)
InChIKeyGKFKIBLBHBKALP-UHFFFAOYSA-N
XLogP2.35
TPSA74.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.36
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-N,4-N,6-N-tribenzyl-1,3,5-triazine-2,4,6-triamine
CID 11372871
4-N-benzyl-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324221
4-N-benzyl-2-N-[[3-[[[4-(benzylamino)-6-(pentylamino)-1,3,5-triazin-2-yl]amino]methyl]phenyl]methyl]-6-N-pentyl-1,3,5-triazine-2,4,6-triamine
CID 11093629
2-N-[(4-bromophenyl)methyl]-6-chloro-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 80754839
6-N-benzyl-2-N-ethyl-9-phenylpurine-2,6-diamine
CID 117091533
2-N,4-N-dibenzyl-6-dodecylsulfanyl-1,3,5-triazine-2,4-diamine
CID 159127421
2-N,4-N-dibenzylpyrimidine-2,4,6-triamine
CID 100996925
6-N-ethyl-2-N,2-N-dimethyl-4-N-[(3-methylphenyl)methyl]-1,3,5-triazine-2,4,6-triamine
CID 80773733
6-chloro-4-N-ethyl-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 6452884
2-N,4-N-diethyl-1,3,5-triazine-2,4,6-triamine;ethane;phenol
CID 91501774
N-benzyl-4-tert-butyl-6-methyl-1,3,5-triazin-2-amine
CID 86220386
N-benzyl-4-methyl-6-phenylpyrimidin-2-amine
CID 13126867

Frequently Asked Questions

What is the IUPAC name of 2-N-benzyl-4-N,6-N-diethyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N-benzyl-4-N,6-N-diethyl-1,3,5-triazine-2,4,6-triamine (CID 7589426) is 2-N-benzyl-4-N,6-N-diethyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N-benzyl-4-N,6-N-diethyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N-benzyl-4-N,6-N-diethyl-1,3,5-triazine-2,4,6-triamine is CCNc1nc(NCC)nc(NCc2ccccc2)n1.
What is the InChIKey of 2-N-benzyl-4-N,6-N-diethyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is GKFKIBLBHBKALP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6/c1-3-15-12-18-13(16-4-2)20-14(19-12)17-10-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3,(H3,15,16,17,18,19,20).
What are the key properties of 2-N-benzyl-4-N,6-N-diethyl-1,3,5-triazine-2,4,6-triamine?
2-N-benzyl-4-N,6-N-diethyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 272.36 g/mol, XLogP of 2.35, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-benzyl-4-N,6-N-diethyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 7589426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).