4-tert-butyl-6-(1-phenylcyclobutyl)-1,3,5-triazin-2-amine

C17H22N4 — CID 63867465

IUPAC4-tert-butyl-6-(1-phenylcyclobutyl)-1,3,5-triazin-2-amine
SMILESCC(C)(C)c1nc(N)nc(C2(c3ccccc3)CCC2)n1
InChIInChI=1S/C17H22N4/c1-16(2,3)13-19-14(21-15(18)20-13)17(10-7-11-17)12-8-5-4-6-9-12/h4-6,8-9H,7,10-11H2,1-3H3,(H2,18,19,20,21)
InChIKeyZFJTWEWXPBQCLV-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.22
Rot. Bonds2

About 4-tert-butyl-6-(1-phenylcyclobutyl)-1,3,5-triazin-2-amine

4-tert-butyl-6-(1-phenylcyclobutyl)-1,3,5-triazin-2-amine (PubChem CID 63867465) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is 4-tert-butyl-6-(1-phenylcyclobutyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-tert-butyl-6-(1-phenylcyclobutyl)-1,3,5-triazin-2-amine
PubChem CID63867465
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC Name4-tert-butyl-6-(1-phenylcyclobutyl)-1,3,5-triazin-2-amine
SMILESCC(C)(C)c1nc(N)nc(C2(c3ccccc3)CCC2)n1
InChIInChI=1S/C17H22N4/c1-16(2,3)13-19-14(21-15(18)20-13)17(10-7-11-17)12-8-5-4-6-9-12/h4-6,8-9H,7,10-11H2,1-3H3,(H2,18,19,20,21)
InChIKeyZFJTWEWXPBQCLV-UHFFFAOYSA-N
XLogP3.22
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,3,5-Triazine-2,4-diamine, 6-(4-tert-butylphenyl)-
CID 615135
4-Benzyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine (13)
CID 121238069
4-[(3-Methylphenyl)methyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 137645924
4-[(4-Methylphenyl)methyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 137651330
4-[(2-Methylphenyl)methyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 137659244
6-(Diphenylmethyl)-1,3,5-triazine-2,4-diamine
CID 306442
6-Benzyl-1,3,5-triazine-2,4-diamine
CID 15819
s-Triazine, 2-amino-4-butyl-6-(phenethylamino)-
CID 213572
6-(3,5-Ditert-butylphenyl)-1,3,5-triazine-2,4-diamine
CID 1240590
1,3,5-Triazin-2-amine, 4-methoxy-6-(phenylmethyl)-
CID 199927
2-N,2-N-dimethyl-6-[(4-phenylpiperidin-1-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 45807086
2-N,2-N-dimethyl-6-[(4-phenylazepan-1-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 53569467

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-6-(1-phenylcyclobutyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-tert-butyl-6-(1-phenylcyclobutyl)-1,3,5-triazin-2-amine (CID 63867465) is 4-tert-butyl-6-(1-phenylcyclobutyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-tert-butyl-6-(1-phenylcyclobutyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-tert-butyl-6-(1-phenylcyclobutyl)-1,3,5-triazin-2-amine is CC(C)(C)c1nc(N)nc(C2(c3ccccc3)CCC2)n1.
What is the InChIKey of 4-tert-butyl-6-(1-phenylcyclobutyl)-1,3,5-triazin-2-amine?
The InChIKey is ZFJTWEWXPBQCLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-16(2,3)13-19-14(21-15(18)20-13)17(10-7-11-17)12-8-5-4-6-9-12/h4-6,8-9H,7,10-11H2,1-3H3,(H2,18,19,20,21).
What are the key properties of 4-tert-butyl-6-(1-phenylcyclobutyl)-1,3,5-triazin-2-amine?
4-tert-butyl-6-(1-phenylcyclobutyl)-1,3,5-triazin-2-amine has a molecular weight of 282.39 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-6-(1-phenylcyclobutyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 63867465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).