N-[2-(1-aminoethyl)phenyl]-4,6-dimethoxy-1,3,5-triazin-2-amine

C13H17N5O2 — CID 63758913

IUPACN-[2-(1-aminoethyl)phenyl]-4,6-dimethoxy-1,3,5-triazin-2-amine
SMILESCOc1nc(Nc2ccccc2C(C)N)nc(OC)n1
InChIInChI=1S/C13H17N5O2/c1-8(14)9-6-4-5-7-10(9)15-11-16-12(19-2)18-13(17-11)20-3/h4-8H,14H2,1-3H3,(H,15,16,17,18)
InChIKeyXLNBNPAOOMMPFH-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.65
Rot. Bonds5

About N-[2-(1-aminoethyl)phenyl]-4,6-dimethoxy-1,3,5-triazin-2-amine

N-[2-(1-aminoethyl)phenyl]-4,6-dimethoxy-1,3,5-triazin-2-amine (PubChem CID 63758913) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-[2-(1-aminoethyl)phenyl]-4,6-dimethoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-[2-(1-aminoethyl)phenyl]-4,6-dimethoxy-1,3,5-triazin-2-amine
PubChem CID63758913
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC NameN-[2-(1-aminoethyl)phenyl]-4,6-dimethoxy-1,3,5-triazin-2-amine
SMILESCOc1nc(Nc2ccccc2C(C)N)nc(OC)n1
InChIInChI=1S/C13H17N5O2/c1-8(14)9-6-4-5-7-10(9)15-11-16-12(19-2)18-13(17-11)20-3/h4-8H,14H2,1-3H3,(H,15,16,17,18)
InChIKeyXLNBNPAOOMMPFH-UHFFFAOYSA-N
XLogP1.65
TPSA95.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-aminoethyl)phenyl]-4,6-dimethoxy-1,3,5-triazin-2-amine?
The IUPAC name of N-[2-(1-aminoethyl)phenyl]-4,6-dimethoxy-1,3,5-triazin-2-amine (CID 63758913) is N-[2-(1-aminoethyl)phenyl]-4,6-dimethoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for N-[2-(1-aminoethyl)phenyl]-4,6-dimethoxy-1,3,5-triazin-2-amine?
The canonical SMILES for N-[2-(1-aminoethyl)phenyl]-4,6-dimethoxy-1,3,5-triazin-2-amine is COc1nc(Nc2ccccc2C(C)N)nc(OC)n1.
What is the InChIKey of N-[2-(1-aminoethyl)phenyl]-4,6-dimethoxy-1,3,5-triazin-2-amine?
The InChIKey is XLNBNPAOOMMPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-8(14)9-6-4-5-7-10(9)15-11-16-12(19-2)18-13(17-11)20-3/h4-8H,14H2,1-3H3,(H,15,16,17,18).
What are the key properties of N-[2-(1-aminoethyl)phenyl]-4,6-dimethoxy-1,3,5-triazin-2-amine?
N-[2-(1-aminoethyl)phenyl]-4,6-dimethoxy-1,3,5-triazin-2-amine has a molecular weight of 275.31 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-aminoethyl)phenyl]-4,6-dimethoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 63758913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).