6,6-dimethyl-1-[3-(naphthalen-2-yloxymethyl)phenyl]-1,3,5-triazine-2,4-diamine

C22H23N5O — CID 19417502

IUPAC6,6-dimethyl-1-[3-(naphthalen-2-yloxymethyl)phenyl]-1,3,5-triazine-2,4-diamine
SMILESCC1(C)N=C(N)N=C(N)N1c1cccc(COc2ccc3ccccc3c2)c1
InChIInChI=1S/C22H23N5O/c1-22(2)26-20(23)25-21(24)27(22)18-9-5-6-15(12-18)14-28-19-11-10-16-7-3-4-8-17(16)13-19/h3-13H,14H2,1-2H3,(H4,23,24,25,26)
InChIKeyCRVSPVPRADASJG-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.60
Rot. Bonds4

About 6,6-dimethyl-1-[3-(naphthalen-2-yloxymethyl)phenyl]-1,3,5-triazine-2,4-diamine

6,6-dimethyl-1-[3-(naphthalen-2-yloxymethyl)phenyl]-1,3,5-triazine-2,4-diamine (PubChem CID 19417502) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is 6,6-dimethyl-1-[3-(naphthalen-2-yloxymethyl)phenyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6,6-dimethyl-1-[3-(naphthalen-2-yloxymethyl)phenyl]-1,3,5-triazine-2,4-diamine
PubChem CID19417502
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC Name6,6-dimethyl-1-[3-(naphthalen-2-yloxymethyl)phenyl]-1,3,5-triazine-2,4-diamine
SMILESCC1(C)N=C(N)N=C(N)N1c1cccc(COc2ccc3ccccc3c2)c1
InChIInChI=1S/C22H23N5O/c1-22(2)26-20(23)25-21(24)27(22)18-9-5-6-15(12-18)14-28-19-11-10-16-7-3-4-8-17(16)13-19/h3-13H,14H2,1-2H3,(H4,23,24,25,26)
InChIKeyCRVSPVPRADASJG-UHFFFAOYSA-N
XLogP3.60
TPSA89.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-(Biphenyl-4-ylmethoxy)phenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine hydrochloride (B2-07)
CID 129010579
Rpr121154
CID 10020451
6,6-Dimethyl-1-[3-[(4-pentylphenoxy)methyl]phenyl]-1,3,5-triazine-2,4-diamine
CID 16073797
6,6-Dimethyl-1-[3-[(3-methylphenoxy)methyl]phenyl]-1,3,5-triazine-2,4-diamine
CID 16073799
[3-[[3-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]methoxy]phenyl]methanol
CID 16073800
6,6-Dimethyl-1-[3-[(3-phenylphenoxy)methyl]phenyl]-1,3,5-triazine-2,4-diamine
CID 16073808
1-[3-[(3-Ethylphenoxy)methyl]phenyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
CID 16073809
1-[3-[(3-Isopropylphenoxy)methyl]phenyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
CID 16073813
4-Amino-1-[4-(benzyloxy)phenyl]-6,6-dimethyl-1,6-dihydro-1,3,5-triazin-2-ylamine
CID 10448877
6,6-Dimethyl-1-[3-(phenoxymethyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 23276325
1-(4-(4-Methoxybenzyloxy)phenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine hydrochloride (B2-06)
CID 129010578
6,6-Dimethyl-1-[3-(1-naphthyloxymethyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 462467

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-1-[3-(naphthalen-2-yloxymethyl)phenyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6,6-dimethyl-1-[3-(naphthalen-2-yloxymethyl)phenyl]-1,3,5-triazine-2,4-diamine (CID 19417502) is 6,6-dimethyl-1-[3-(naphthalen-2-yloxymethyl)phenyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6,6-dimethyl-1-[3-(naphthalen-2-yloxymethyl)phenyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6,6-dimethyl-1-[3-(naphthalen-2-yloxymethyl)phenyl]-1,3,5-triazine-2,4-diamine is CC1(C)N=C(N)N=C(N)N1c1cccc(COc2ccc3ccccc3c2)c1.
What is the InChIKey of 6,6-dimethyl-1-[3-(naphthalen-2-yloxymethyl)phenyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is CRVSPVPRADASJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O/c1-22(2)26-20(23)25-21(24)27(22)18-9-5-6-15(12-18)14-28-19-11-10-16-7-3-4-8-17(16)13-19/h3-13H,14H2,1-2H3,(H4,23,24,25,26).
What are the key properties of 6,6-dimethyl-1-[3-(naphthalen-2-yloxymethyl)phenyl]-1,3,5-triazine-2,4-diamine?
6,6-dimethyl-1-[3-(naphthalen-2-yloxymethyl)phenyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 373.46 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-1-[3-(naphthalen-2-yloxymethyl)phenyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 19417502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).