4-benzyl-6-tert-butyl-1,3,5-triazin-2-amine

C14H18N4 — CID 63868198

IUPAC4-benzyl-6-tert-butyl-1,3,5-triazin-2-amine
SMILESCC(C)(C)c1nc(N)nc(Cc2ccccc2)n1
InChIInChI=1S/C14H18N4/c1-14(2,3)12-16-11(17-13(15)18-12)9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H2,15,16,17,18)
InChIKeyPFZXHTPFMAGZAS-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.34
Rot. Bonds2

About 4-benzyl-6-tert-butyl-1,3,5-triazin-2-amine

4-benzyl-6-tert-butyl-1,3,5-triazin-2-amine (PubChem CID 63868198) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 4-benzyl-6-tert-butyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-benzyl-6-tert-butyl-1,3,5-triazin-2-amine
PubChem CID63868198
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name4-benzyl-6-tert-butyl-1,3,5-triazin-2-amine
SMILESCC(C)(C)c1nc(N)nc(Cc2ccccc2)n1
InChIInChI=1S/C14H18N4/c1-14(2,3)12-16-11(17-13(15)18-12)9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H2,15,16,17,18)
InChIKeyPFZXHTPFMAGZAS-UHFFFAOYSA-N
XLogP2.34
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-tert-butyl-6-[(3,5-difluorophenyl)methyl]-1,3,5-triazin-2-amine
CID 63868054
4-tert-butyl-6-[(2-chlorophenyl)sulfanylmethyl]-1,3,5-triazin-2-amine
CID 66153350
4,6-ditert-butyl-1,3,5-triazin-2-amine
CID 63869153
4-(trifluoromethyl)-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine
CID 58040029
2-benzyl-4,6-dimethyl-1,3,5-triazine
CID 118594943
6-[(3-phenoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine
CID 71468116
(2-benzyl-4,6-dimethylpyrimidin-5-yl)methanamine
CID 28916465
5-benzyl-3-tert-butyl-1H-1,2,4-triazole
CID 163550877
6-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 112681587
4-(3-phenylpentan-3-yl)-6-propyl-1,3,5-triazin-2-amine
CID 63868332
2-benzyl-6-propan-2-ylpyrimidin-4-amine
CID 62192798
4-benzyl-6-methylpyrimidin-2-amine
CID 45071696

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-6-tert-butyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-benzyl-6-tert-butyl-1,3,5-triazin-2-amine (CID 63868198) is 4-benzyl-6-tert-butyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-benzyl-6-tert-butyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-benzyl-6-tert-butyl-1,3,5-triazin-2-amine is CC(C)(C)c1nc(N)nc(Cc2ccccc2)n1.
What is the InChIKey of 4-benzyl-6-tert-butyl-1,3,5-triazin-2-amine?
The InChIKey is PFZXHTPFMAGZAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-14(2,3)12-16-11(17-13(15)18-12)9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H2,15,16,17,18).
What are the key properties of 4-benzyl-6-tert-butyl-1,3,5-triazin-2-amine?
4-benzyl-6-tert-butyl-1,3,5-triazin-2-amine has a molecular weight of 242.33 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-6-tert-butyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 63868198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).