6-[1-[(3-methoxyphenyl)methyl-methylamino]ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine

C20H24N6O — CID 17454857

IUPAC6-[1-[(3-methoxyphenyl)methyl-methylamino]ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
SMILESCOc1cccc(CN(C)C(C)c2nc(N)nc(Nc3ccccc3)n2)c1
InChIInChI=1S/C20H24N6O/c1-14(26(2)13-15-8-7-11-17(12-15)27-3)18-23-19(21)25-20(24-18)22-16-9-5-4-6-10-16/h4-12,14H,13H2,1-3H3,(H3,21,22,23,24,25)
InChIKeyNFRCDIGXNSREMW-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.40
Rot. Bonds7

About 6-[1-[(3-methoxyphenyl)methyl-methylamino]ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine

6-[1-[(3-methoxyphenyl)methyl-methylamino]ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine (PubChem CID 17454857) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is 6-[1-[(3-methoxyphenyl)methyl-methylamino]ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[1-[(3-methoxyphenyl)methyl-methylamino]ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
PubChem CID17454857
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC Name6-[1-[(3-methoxyphenyl)methyl-methylamino]ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
SMILESCOc1cccc(CN(C)C(C)c2nc(N)nc(Nc3ccccc3)n2)c1
InChIInChI=1S/C20H24N6O/c1-14(26(2)13-15-8-7-11-17(12-15)27-3)18-23-19(21)25-20(24-18)22-16-9-5-4-6-10-16/h4-12,14H,13H2,1-3H3,(H3,21,22,23,24,25)
InChIKeyNFRCDIGXNSREMW-UHFFFAOYSA-N
XLogP3.40
TPSA89.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[1-[(3-methoxyphenyl)methyl-methylamino]ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[1-[(3-methoxyphenyl)methyl-methylamino]ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine (CID 17454857) is 6-[1-[(3-methoxyphenyl)methyl-methylamino]ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[1-[(3-methoxyphenyl)methyl-methylamino]ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[1-[(3-methoxyphenyl)methyl-methylamino]ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine is COc1cccc(CN(C)C(C)c2nc(N)nc(Nc3ccccc3)n2)c1.
What is the InChIKey of 6-[1-[(3-methoxyphenyl)methyl-methylamino]ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine?
The InChIKey is NFRCDIGXNSREMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O/c1-14(26(2)13-15-8-7-11-17(12-15)27-3)18-23-19(21)25-20(24-18)22-16-9-5-4-6-10-16/h4-12,14H,13H2,1-3H3,(H3,21,22,23,24,25).
What are the key properties of 6-[1-[(3-methoxyphenyl)methyl-methylamino]ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine?
6-[1-[(3-methoxyphenyl)methyl-methylamino]ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine has a molecular weight of 364.45 g/mol, XLogP of 3.40, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[(3-methoxyphenyl)methyl-methylamino]ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 17454857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).