4-N-benzyl-2-N-(2-methylprop-2-enyl)-1,3,5-triazine-2,4,6-triamine

C14H18N6 — CID 54014902

IUPAC4-N-benzyl-2-N-(2-methylprop-2-enyl)-1,3,5-triazine-2,4,6-triamine
SMILESC=C(C)CNc1nc(N)nc(NCc2ccccc2)n1
InChIInChI=1S/C14H18N6/c1-10(2)8-16-13-18-12(15)19-14(20-13)17-9-11-6-4-3-5-7-11/h3-7H,1,8-9H2,2H3,(H4,15,16,17,18,19,20)
InChIKeyKUYKDVBRQBUCBG-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.05
Rot. Bonds6

About 4-N-benzyl-2-N-(2-methylprop-2-enyl)-1,3,5-triazine-2,4,6-triamine

4-N-benzyl-2-N-(2-methylprop-2-enyl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 54014902) has the molecular formula C14H18N6 and a molecular weight of 270.34 g/mol. Its IUPAC name is 4-N-benzyl-2-N-(2-methylprop-2-enyl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-benzyl-2-N-(2-methylprop-2-enyl)-1,3,5-triazine-2,4,6-triamine
PubChem CID54014902
Molecular FormulaC14H18N6
Molecular Weight270.34 g/mol
Exact Mass270.16
IUPAC Name4-N-benzyl-2-N-(2-methylprop-2-enyl)-1,3,5-triazine-2,4,6-triamine
SMILESC=C(C)CNc1nc(N)nc(NCc2ccccc2)n1
InChIInChI=1S/C14H18N6/c1-10(2)8-16-13-18-12(15)19-14(20-13)17-9-11-6-4-3-5-7-11/h3-7H,1,8-9H2,2H3,(H4,15,16,17,18,19,20)
InChIKeyKUYKDVBRQBUCBG-UHFFFAOYSA-N
XLogP2.05
TPSA88.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-N,4-N,6-N-tribenzyl-1,3,5-triazine-2,4,6-triamine
CID 11372871
2-N-benzyl-4-N,6-N-diethyl-1,3,5-triazine-2,4,6-triamine
CID 7589426
2-N-[(4-methylphenyl)methyl]-1,3,5-triazine-2,4,6-triamine
CID 25211898
ethyl 2-[[4-(benzylamino)-6-chloro-1,3,5-triazin-2-yl]amino]acetate
CID 779533
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
6-[2-[4-amino-6-(benzylamino)-1,3,5-triazin-2-yl]cyclohexyl]-1,3,5-triazine-2,4-diamine
CID 57316892
N-(2-methylprop-2-enyl)aniline;hydrochloride
CID 86147547
2-N-benzyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80770243
2-N-(3-aminophenyl)-4-N,6-N-dibenzyl-1,3,5-triazine-2,4,6-triamine;ethane
CID 91094549
2-N,4-N-dibenzylpyrimidine-2,4,6-triamine
CID 100996925
[2-[4-amino-6-(benzylamino)-1,3,5-triazin-2-yl]-5-chlorophenyl]methanol
CID 155567928

Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-2-N-(2-methylprop-2-enyl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 4-N-benzyl-2-N-(2-methylprop-2-enyl)-1,3,5-triazine-2,4,6-triamine (CID 54014902) is 4-N-benzyl-2-N-(2-methylprop-2-enyl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 4-N-benzyl-2-N-(2-methylprop-2-enyl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 4-N-benzyl-2-N-(2-methylprop-2-enyl)-1,3,5-triazine-2,4,6-triamine is C=C(C)CNc1nc(N)nc(NCc2ccccc2)n1.
What is the InChIKey of 4-N-benzyl-2-N-(2-methylprop-2-enyl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is KUYKDVBRQBUCBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6/c1-10(2)8-16-13-18-12(15)19-14(20-13)17-9-11-6-4-3-5-7-11/h3-7H,1,8-9H2,2H3,(H4,15,16,17,18,19,20).
What are the key properties of 4-N-benzyl-2-N-(2-methylprop-2-enyl)-1,3,5-triazine-2,4,6-triamine?
4-N-benzyl-2-N-(2-methylprop-2-enyl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 270.34 g/mol, XLogP of 2.05, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-2-N-(2-methylprop-2-enyl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 54014902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).