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

C12H15N5O2 — CID 62860362

IUPACN-[(4-aminophenyl)methyl]-4,6-dimethoxy-1,3,5-triazin-2-amine
SMILESCOc1nc(NCc2ccc(N)cc2)nc(OC)n1
InChIInChI=1S/C12H15N5O2/c1-18-11-15-10(16-12(17-11)19-2)14-7-8-3-5-9(13)6-4-8/h3-6H,7,13H2,1-2H3,(H,14,15,16,17)
InChIKeyANLBMKXLRZXMDL-UHFFFAOYSA-N
MW261.29 g/mol
LogP1.08
Rot. Bonds5

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

N-[(4-aminophenyl)methyl]-4,6-dimethoxy-1,3,5-triazin-2-amine (PubChem CID 62860362) has the molecular formula C12H15N5O2 and a molecular weight of 261.29 g/mol. Its IUPAC name is N-[(4-aminophenyl)methyl]-4,6-dimethoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-[(4-aminophenyl)methyl]-4,6-dimethoxy-1,3,5-triazin-2-amine
PubChem CID62860362
Molecular FormulaC12H15N5O2
Molecular Weight261.29 g/mol
Exact Mass261.12
IUPAC NameN-[(4-aminophenyl)methyl]-4,6-dimethoxy-1,3,5-triazin-2-amine
SMILESCOc1nc(NCc2ccc(N)cc2)nc(OC)n1
InChIInChI=1S/C12H15N5O2/c1-18-11-15-10(16-12(17-11)19-2)14-7-8-3-5-9(13)6-4-8/h3-6H,7,13H2,1-2H3,(H,14,15,16,17)
InChIKeyANLBMKXLRZXMDL-UHFFFAOYSA-N
XLogP1.08
TPSA95.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(4-aminophenyl)methyl]-4,6-dimethoxy-1,3,5-triazin-2-amine?
The IUPAC name of N-[(4-aminophenyl)methyl]-4,6-dimethoxy-1,3,5-triazin-2-amine (CID 62860362) is N-[(4-aminophenyl)methyl]-4,6-dimethoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for N-[(4-aminophenyl)methyl]-4,6-dimethoxy-1,3,5-triazin-2-amine?
The canonical SMILES for N-[(4-aminophenyl)methyl]-4,6-dimethoxy-1,3,5-triazin-2-amine is COc1nc(NCc2ccc(N)cc2)nc(OC)n1.
What is the InChIKey of N-[(4-aminophenyl)methyl]-4,6-dimethoxy-1,3,5-triazin-2-amine?
The InChIKey is ANLBMKXLRZXMDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-18-11-15-10(16-12(17-11)19-2)14-7-8-3-5-9(13)6-4-8/h3-6H,7,13H2,1-2H3,(H,14,15,16,17).
What are the key properties of N-[(4-aminophenyl)methyl]-4,6-dimethoxy-1,3,5-triazin-2-amine?
N-[(4-aminophenyl)methyl]-4,6-dimethoxy-1,3,5-triazin-2-amine has a molecular weight of 261.29 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminophenyl)methyl]-4,6-dimethoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 62860362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).