N-(3,5-ditert-butylphenyl)-4-methyl-1,3,5-triazin-2-amine

C18H26N4 — CID 175274016

IUPACN-(3,5-ditert-butylphenyl)-4-methyl-1,3,5-triazin-2-amine
SMILESCc1ncnc(Nc2cc(C(C)(C)C)cc(C(C)(C)C)c2)n1
InChIInChI=1S/C18H26N4/c1-12-19-11-20-16(21-12)22-15-9-13(17(2,3)4)8-14(10-15)18(5,6)7/h8-11H,1-7H3,(H,19,20,21,22)
InChIKeyIBSAXVDXVQXFBP-UHFFFAOYSA-N
MW298.43 g/mol
LogP4.52
Rot. Bonds2

About N-(3,5-ditert-butylphenyl)-4-methyl-1,3,5-triazin-2-amine

N-(3,5-ditert-butylphenyl)-4-methyl-1,3,5-triazin-2-amine (PubChem CID 175274016) has the molecular formula C18H26N4 and a molecular weight of 298.43 g/mol. Its IUPAC name is N-(3,5-ditert-butylphenyl)-4-methyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-(3,5-ditert-butylphenyl)-4-methyl-1,3,5-triazin-2-amine
PubChem CID175274016
Molecular FormulaC18H26N4
Molecular Weight298.43 g/mol
Exact Mass298.22
IUPAC NameN-(3,5-ditert-butylphenyl)-4-methyl-1,3,5-triazin-2-amine
SMILESCc1ncnc(Nc2cc(C(C)(C)C)cc(C(C)(C)C)c2)n1
InChIInChI=1S/C18H26N4/c1-12-19-11-20-16(21-12)22-15-9-13(17(2,3)4)8-14(10-15)18(5,6)7/h8-11H,1-7H3,(H,19,20,21,22)
InChIKeyIBSAXVDXVQXFBP-UHFFFAOYSA-N
XLogP4.52
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dimethylphenyl)-4,6-dimethyl-1,3,5-triazin-2-amine
CID 134173031
2-[5-fluoro-4-methyl-2-[(4-methyl-1,3,5-triazin-2-yl)amino]phenyl]butan-2-ol
CID 163441295
2-N-(4-aminophenyl)-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 150827570
2-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 704906
N-(3-tert-butyl-5-methylphenyl)-4-(1-propan-2-ylpyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-amine
CID 91029306
terbium;bis(1,3,5-tritert-butylbenzene)
CID 134902614
N-[3,5-bis(trifluoromethyl)phenyl]-6,7-dimethylquinazolin-4-amine;dihydrate
CID 159537873
CID 172854912
CID 172854912
4-chloro-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine
CID 22028121
2-N,4-N-bis(3,5-dimethylphenyl)-6-N-ethyl-1,3,5-triazine-2,4,6-triamine
CID 102301037
[4-[[4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]amino]phenyl]methanol
CID 23536033
4-chloro-N-[3-methyl-5-(methylsulfanylmethyl)phenyl]-1,3,5-triazin-2-amine
CID 89239942

Frequently Asked Questions

What is the IUPAC name of N-(3,5-ditert-butylphenyl)-4-methyl-1,3,5-triazin-2-amine?
The IUPAC name of N-(3,5-ditert-butylphenyl)-4-methyl-1,3,5-triazin-2-amine (CID 175274016) is N-(3,5-ditert-butylphenyl)-4-methyl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-(3,5-ditert-butylphenyl)-4-methyl-1,3,5-triazin-2-amine?
The canonical SMILES for N-(3,5-ditert-butylphenyl)-4-methyl-1,3,5-triazin-2-amine is Cc1ncnc(Nc2cc(C(C)(C)C)cc(C(C)(C)C)c2)n1.
What is the InChIKey of N-(3,5-ditert-butylphenyl)-4-methyl-1,3,5-triazin-2-amine?
The InChIKey is IBSAXVDXVQXFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4/c1-12-19-11-20-16(21-12)22-15-9-13(17(2,3)4)8-14(10-15)18(5,6)7/h8-11H,1-7H3,(H,19,20,21,22).
What are the key properties of N-(3,5-ditert-butylphenyl)-4-methyl-1,3,5-triazin-2-amine?
N-(3,5-ditert-butylphenyl)-4-methyl-1,3,5-triazin-2-amine has a molecular weight of 298.43 g/mol, XLogP of 4.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-ditert-butylphenyl)-4-methyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 175274016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).