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

C16H19N5O — CID 44522348

IUPAC6,6-dimethyl-1-(naphthalen-2-ylmethoxy)-1,3,5-triazine-2,4-diamine
SMILESCC1(C)N=C(N)N=C(N)N1OCc1ccc2ccccc2c1
InChIInChI=1S/C16H19N5O/c1-16(2)20-14(17)19-15(18)21(16)22-10-11-7-8-12-5-3-4-6-13(12)9-11/h3-9H,10H2,1-2H3,(H4,17,18,19,20)
InChIKeyLTPSRBGCMHMARK-UHFFFAOYSA-N
MW297.36 g/mol
LogP1.95
Rot. Bonds3

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

6,6-dimethyl-1-(naphthalen-2-ylmethoxy)-1,3,5-triazine-2,4-diamine (PubChem CID 44522348) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is 6,6-dimethyl-1-(naphthalen-2-ylmethoxy)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6,6-dimethyl-1-(naphthalen-2-ylmethoxy)-1,3,5-triazine-2,4-diamine
PubChem CID44522348
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC Name6,6-dimethyl-1-(naphthalen-2-ylmethoxy)-1,3,5-triazine-2,4-diamine
SMILESCC1(C)N=C(N)N=C(N)N1OCc1ccc2ccccc2c1
InChIInChI=1S/C16H19N5O/c1-16(2)20-14(17)19-15(18)21(16)22-10-11-7-8-12-5-3-4-6-13(12)9-11/h3-9H,10H2,1-2H3,(H4,17,18,19,20)
InChIKeyLTPSRBGCMHMARK-UHFFFAOYSA-N
XLogP1.95
TPSA89.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6,6-dimethyl-1-[[3-(3-phenylpropoxy)phenyl]methoxy]-1,3,5-triazine-2,4-diamine
CID 134116988
1-[2-(2,6-difluorophenyl)ethoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
CID 67730273
1-[4-(3,4-dichlorophenyl)butoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
CID 134110678
2-(ethoxymethyl)naphthalene
CID 11063138
(3S,4R)-4-(iodomethyl)-3-methyl-3-(2-methylpropyl)-1-(naphthalen-2-ylmethoxy)pyrrolidin-2-one
CID 101420300
CID 57459119
CID 57459119
naphthalen-2-ylmethyl propanoate;hydrochloride
CID 174398920
naphthalen-2-ylmethyl 4-methylpentanoate
CID 135060928
2-(naphthalen-2-ylmethyl)naphthalene
CID 14123480
CID 159481428
CID 159481428
2-(phosphorosooxymethyl)naphthalene
CID 69098049
(2S,3S)-2-(naphthalen-2-ylmethoxy)-3-phenylmethoxyoxirane
CID 100966830

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-1-(naphthalen-2-ylmethoxy)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6,6-dimethyl-1-(naphthalen-2-ylmethoxy)-1,3,5-triazine-2,4-diamine (CID 44522348) is 6,6-dimethyl-1-(naphthalen-2-ylmethoxy)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6,6-dimethyl-1-(naphthalen-2-ylmethoxy)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6,6-dimethyl-1-(naphthalen-2-ylmethoxy)-1,3,5-triazine-2,4-diamine is CC1(C)N=C(N)N=C(N)N1OCc1ccc2ccccc2c1.
What is the InChIKey of 6,6-dimethyl-1-(naphthalen-2-ylmethoxy)-1,3,5-triazine-2,4-diamine?
The InChIKey is LTPSRBGCMHMARK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O/c1-16(2)20-14(17)19-15(18)21(16)22-10-11-7-8-12-5-3-4-6-13(12)9-11/h3-9H,10H2,1-2H3,(H4,17,18,19,20).
What are the key properties of 6,6-dimethyl-1-(naphthalen-2-ylmethoxy)-1,3,5-triazine-2,4-diamine?
6,6-dimethyl-1-(naphthalen-2-ylmethoxy)-1,3,5-triazine-2,4-diamine has a molecular weight of 297.36 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-1-(naphthalen-2-ylmethoxy)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 44522348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).