4-[[[4,6-bis(methylamino)-1,3,5-triazin-2-yl]-methylamino]methyl]-2-tert-butylphenol

C17H26N6O — CID 123737928

IUPAC4-[[[4,6-bis(methylamino)-1,3,5-triazin-2-yl]-methylamino]methyl]-2-tert-butylphenol
SMILESCNc1nc(NC)nc(N(C)Cc2ccc(O)c(C(C)(C)C)c2)n1
InChIInChI=1S/C17H26N6O/c1-17(2,3)12-9-11(7-8-13(12)24)10-23(6)16-21-14(18-4)20-15(19-5)22-16/h7-9,24H,10H2,1-6H3,(H2,18,19,20,21,22)
InChIKeyCFQVIRGYMGYUAV-UHFFFAOYSA-N
MW330.44 g/mol
LogP2.59
Rot. Bonds5

About 4-[[[4,6-bis(methylamino)-1,3,5-triazin-2-yl]-methylamino]methyl]-2-tert-butylphenol

4-[[[4,6-bis(methylamino)-1,3,5-triazin-2-yl]-methylamino]methyl]-2-tert-butylphenol (PubChem CID 123737928) has the molecular formula C17H26N6O and a molecular weight of 330.44 g/mol. Its IUPAC name is 4-[[[4,6-bis(methylamino)-1,3,5-triazin-2-yl]-methylamino]methyl]-2-tert-butylphenol.

Molecular Properties

Compound Name4-[[[4,6-bis(methylamino)-1,3,5-triazin-2-yl]-methylamino]methyl]-2-tert-butylphenol
PubChem CID123737928
Molecular FormulaC17H26N6O
Molecular Weight330.44 g/mol
Exact Mass330.22
IUPAC Name4-[[[4,6-bis(methylamino)-1,3,5-triazin-2-yl]-methylamino]methyl]-2-tert-butylphenol
SMILESCNc1nc(NC)nc(N(C)Cc2ccc(O)c(C(C)(C)C)c2)n1
InChIInChI=1S/C17H26N6O/c1-17(2,3)12-9-11(7-8-13(12)24)10-23(6)16-21-14(18-4)20-15(19-5)22-16/h7-9,24H,10H2,1-6H3,(H2,18,19,20,21,22)
InChIKeyCFQVIRGYMGYUAV-UHFFFAOYSA-N
XLogP2.59
TPSA86.20 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[[4,6-bis(methylamino)-1,3,5-triazin-2-yl]-methylamino]methyl]-2-tert-butylphenol?
The IUPAC name of 4-[[[4,6-bis(methylamino)-1,3,5-triazin-2-yl]-methylamino]methyl]-2-tert-butylphenol (CID 123737928) is 4-[[[4,6-bis(methylamino)-1,3,5-triazin-2-yl]-methylamino]methyl]-2-tert-butylphenol.
What is the SMILES notation for 4-[[[4,6-bis(methylamino)-1,3,5-triazin-2-yl]-methylamino]methyl]-2-tert-butylphenol?
The canonical SMILES for 4-[[[4,6-bis(methylamino)-1,3,5-triazin-2-yl]-methylamino]methyl]-2-tert-butylphenol is CNc1nc(NC)nc(N(C)Cc2ccc(O)c(C(C)(C)C)c2)n1.
What is the InChIKey of 4-[[[4,6-bis(methylamino)-1,3,5-triazin-2-yl]-methylamino]methyl]-2-tert-butylphenol?
The InChIKey is CFQVIRGYMGYUAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O/c1-17(2,3)12-9-11(7-8-13(12)24)10-23(6)16-21-14(18-4)20-15(19-5)22-16/h7-9,24H,10H2,1-6H3,(H2,18,19,20,21,22).
What are the key properties of 4-[[[4,6-bis(methylamino)-1,3,5-triazin-2-yl]-methylamino]methyl]-2-tert-butylphenol?
4-[[[4,6-bis(methylamino)-1,3,5-triazin-2-yl]-methylamino]methyl]-2-tert-butylphenol has a molecular weight of 330.44 g/mol, XLogP of 2.59, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[4,6-bis(methylamino)-1,3,5-triazin-2-yl]-methylamino]methyl]-2-tert-butylphenol is sourced from PubChem (CID 123737928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).