6-(naphthalen-2-yloxymethyl)-1,3,5-triazine-2,4-diamine

C14H13N5O — CID 9137806

IUPAC6-(naphthalen-2-yloxymethyl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(COc2ccc3ccccc3c2)n1
InChIInChI=1S/C14H13N5O/c15-13-17-12(18-14(16)19-13)8-20-11-6-5-9-3-1-2-4-10(9)7-11/h1-7H,8H2,(H4,15,16,17,18,19)
InChIKeyXBVRYERMDFBJEK-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.77
Rot. Bonds3

About 6-(naphthalen-2-yloxymethyl)-1,3,5-triazine-2,4-diamine

6-(naphthalen-2-yloxymethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 9137806) has the molecular formula C14H13N5O and a molecular weight of 267.29 g/mol. Its IUPAC name is 6-(naphthalen-2-yloxymethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(naphthalen-2-yloxymethyl)-1,3,5-triazine-2,4-diamine
PubChem CID9137806
Molecular FormulaC14H13N5O
Molecular Weight267.29 g/mol
Exact Mass267.11
IUPAC Name6-(naphthalen-2-yloxymethyl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(COc2ccc3ccccc3c2)n1
InChIInChI=1S/C14H13N5O/c15-13-17-12(18-14(16)19-13)8-20-11-6-5-9-3-1-2-4-10(9)7-11/h1-7H,8H2,(H4,15,16,17,18,19)
InChIKeyXBVRYERMDFBJEK-UHFFFAOYSA-N
XLogP1.77
TPSA99.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-(naphthalen-2-yloxymethyl)-1,3,5-triazine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methylsulfanyl-6-(naphthalen-2-yloxymethyl)-1,3,5-triazin-2-amine
CID 22349779
6-[(3,4-dichlorophenoxy)methyl]-1,3,5-triazine-2,4-diamine
CID 9137860
6-[(3-nitrophenoxy)methyl]-1,3,5-triazine-2,4-diamine
CID 32702957
2-N,2-N-dimethyl-6-[(5-methylnaphthalen-2-yl)oxymethyl]-1,3,5-triazine-2,4-diamine
CID 167845932
2-amino-4-methyl-6-(naphthalen-2-yloxymethyl)pyrimidine-5-carboxamide
CID 54850982
2-amino-4-methyl-6-(naphthalen-2-yloxymethyl)pyrimidine-5-carboxylic acid
CID 54851615
2-[(6-bromonaphthalen-2-yl)oxymethyl]pyrimidine
CID 62698805
3,5-dimethyl-2-(naphthalen-2-yloxymethyl)pyridin-4-amine
CID 103183022
3-fluoro-4-(naphthalen-2-yloxymethyl)aniline
CID 64767706
2-chloro-5-(naphthalen-2-yloxymethyl)-1,3,4-thiadiazole
CID 80609998
2-[2-(naphthalen-2-yloxymethyl)phenyl]ethanamine
CID 115464887
2-ethoxynaphthalene
CID 118978197

Frequently Asked Questions

What is the IUPAC name of 6-(naphthalen-2-yloxymethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(naphthalen-2-yloxymethyl)-1,3,5-triazine-2,4-diamine (CID 9137806) is 6-(naphthalen-2-yloxymethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(naphthalen-2-yloxymethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(naphthalen-2-yloxymethyl)-1,3,5-triazine-2,4-diamine is Nc1nc(N)nc(COc2ccc3ccccc3c2)n1.
What is the InChIKey of 6-(naphthalen-2-yloxymethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is XBVRYERMDFBJEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O/c15-13-17-12(18-14(16)19-13)8-20-11-6-5-9-3-1-2-4-10(9)7-11/h1-7H,8H2,(H4,15,16,17,18,19).
What are the key properties of 6-(naphthalen-2-yloxymethyl)-1,3,5-triazine-2,4-diamine?
6-(naphthalen-2-yloxymethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 267.29 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(naphthalen-2-yloxymethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 9137806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).