2-N,2-N-dimethyl-6-[(5-methylnaphthalen-2-yl)oxymethyl]-1,3,5-triazine-2,4-diamine

C17H19N5O — CID 167845932

IUPAC2-N,2-N-dimethyl-6-[(5-methylnaphthalen-2-yl)oxymethyl]-1,3,5-triazine-2,4-diamine
SMILESCc1cccc2cc(OCc3nc(N)nc(N(C)C)n3)ccc12
InChIInChI=1S/C17H19N5O/c1-11-5-4-6-12-9-13(7-8-14(11)12)23-10-15-19-16(18)21-17(20-15)22(2)3/h4-9H,10H2,1-3H3,(H2,18,19,20,21)
InChIKeySTUGABJRWQJYBT-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.56
Rot. Bonds4

About 2-N,2-N-dimethyl-6-[(5-methylnaphthalen-2-yl)oxymethyl]-1,3,5-triazine-2,4-diamine

2-N,2-N-dimethyl-6-[(5-methylnaphthalen-2-yl)oxymethyl]-1,3,5-triazine-2,4-diamine (PubChem CID 167845932) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-6-[(5-methylnaphthalen-2-yl)oxymethyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-6-[(5-methylnaphthalen-2-yl)oxymethyl]-1,3,5-triazine-2,4-diamine
PubChem CID167845932
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name2-N,2-N-dimethyl-6-[(5-methylnaphthalen-2-yl)oxymethyl]-1,3,5-triazine-2,4-diamine
SMILESCc1cccc2cc(OCc3nc(N)nc(N(C)C)n3)ccc12
InChIInChI=1S/C17H19N5O/c1-11-5-4-6-12-9-13(7-8-14(11)12)23-10-15-19-16(18)21-17(20-15)22(2)3/h4-9H,10H2,1-3H3,(H2,18,19,20,21)
InChIKeySTUGABJRWQJYBT-UHFFFAOYSA-N
XLogP2.56
TPSA77.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-N,2-N-dimethyl-6-[(5-methylnaphthalen-2-yl)oxymethyl]-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

6-[[3-(aminomethyl)phenoxy]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 106484983
6-[[4-(aminomethyl)phenoxy]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 106484746
6-(naphthalen-2-yloxymethyl)-1,3,5-triazine-2,4-diamine
CID 9137806
2-N,2-N-dimethyl-6-[[3-(1,3,4-oxadiazol-2-yl)phenoxy]methyl]-1,3,5-triazine-2,4-diamine
CID 36994373
4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methoxy]-3,5-dimethylbenzonitrile
CID 91643412
[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 2-(3-methylphenoxy)acetate
CID 25462028
[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 42577122
3-amino-N-[3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methoxy]phenyl]pyrazine-2-carboxamide
CID 136525918
6-[(2,4-difluorophenoxy)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 38934992
4-methylsulfanyl-6-(naphthalen-2-yloxymethyl)-1,3,5-triazin-2-amine
CID 22349779
N-[3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methoxy]phenyl]pyrrolidine-2-carboxamide
CID 119346030
6-[(4-methoxyphenyl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 177451531

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyl-6-[(5-methylnaphthalen-2-yl)oxymethyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,2-N-dimethyl-6-[(5-methylnaphthalen-2-yl)oxymethyl]-1,3,5-triazine-2,4-diamine (CID 167845932) is 2-N,2-N-dimethyl-6-[(5-methylnaphthalen-2-yl)oxymethyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,2-N-dimethyl-6-[(5-methylnaphthalen-2-yl)oxymethyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,2-N-dimethyl-6-[(5-methylnaphthalen-2-yl)oxymethyl]-1,3,5-triazine-2,4-diamine is Cc1cccc2cc(OCc3nc(N)nc(N(C)C)n3)ccc12.
What is the InChIKey of 2-N,2-N-dimethyl-6-[(5-methylnaphthalen-2-yl)oxymethyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is STUGABJRWQJYBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c1-11-5-4-6-12-9-13(7-8-14(11)12)23-10-15-19-16(18)21-17(20-15)22(2)3/h4-9H,10H2,1-3H3,(H2,18,19,20,21).
What are the key properties of 2-N,2-N-dimethyl-6-[(5-methylnaphthalen-2-yl)oxymethyl]-1,3,5-triazine-2,4-diamine?
2-N,2-N-dimethyl-6-[(5-methylnaphthalen-2-yl)oxymethyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 309.37 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-6-[(5-methylnaphthalen-2-yl)oxymethyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 167845932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).