6,6-dimethyl-1-[(2S)-2-methyl-3-(4-phenylphenoxy)propoxy]-1,3,5-triazine-2,4-diamine

C21H27N5O2 — CID 44522017

IUPAC6,6-dimethyl-1-[(2S)-2-methyl-3-(4-phenylphenoxy)propoxy]-1,3,5-triazine-2,4-diamine
SMILESC[C@@H](COc1ccc(-c2ccccc2)cc1)CON1C(N)=NC(N)=NC1(C)C
InChIInChI=1S/C21H27N5O2/c1-15(14-28-26-20(23)24-19(22)25-21(26,2)3)13-27-18-11-9-17(10-12-18)16-7-5-4-6-8-16/h4-12,15H,13-14H2,1-3H3,(H4,22,23,24,25)/t15-/m0/s1
InChIKeyMPQDUZSOQKYXFW-HNNXBMFYSA-N
MW381.48 g/mol
LogP2.98
Rot. Bonds7

About 6,6-dimethyl-1-[(2S)-2-methyl-3-(4-phenylphenoxy)propoxy]-1,3,5-triazine-2,4-diamine

6,6-dimethyl-1-[(2S)-2-methyl-3-(4-phenylphenoxy)propoxy]-1,3,5-triazine-2,4-diamine (PubChem CID 44522017) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is 6,6-dimethyl-1-[(2S)-2-methyl-3-(4-phenylphenoxy)propoxy]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6,6-dimethyl-1-[(2S)-2-methyl-3-(4-phenylphenoxy)propoxy]-1,3,5-triazine-2,4-diamine
PubChem CID44522017
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC Name6,6-dimethyl-1-[(2S)-2-methyl-3-(4-phenylphenoxy)propoxy]-1,3,5-triazine-2,4-diamine
SMILESC[C@@H](COc1ccc(-c2ccccc2)cc1)CON1C(N)=NC(N)=NC1(C)C
InChIInChI=1S/C21H27N5O2/c1-15(14-28-26-20(23)24-19(22)25-21(26,2)3)13-27-18-11-9-17(10-12-18)16-7-5-4-6-8-16/h4-12,15H,13-14H2,1-3H3,(H4,22,23,24,25)/t15-/m0/s1
InChIKeyMPQDUZSOQKYXFW-HNNXBMFYSA-N
XLogP2.98
TPSA98.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6,6-dimethyl-1-[(2S)-2-methyl-3-(4-phenylphenoxy)propoxy]-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

1-[3-(4-methoxyphenyl)-2-methylpropoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrobromide
CID 44523062
6,6-dimethyl-1-[2-(4-methylphenoxy)ethoxy]-1,3,5-triazine-2,4-diamine
CID 134098766
1-[(2-chloro-5-phenylphenyl)methoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrobromide
CID 134117018
1-[(4-ethoxyphenyl)methoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrobromide
CID 134117027
1-[(4-decoxyphenyl)methoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
CID 3008692
6,6-dimethyl-1-(4-phenoxyphenyl)-1,3,5-triazine-2,4-diamine;hydrochloride
CID 44531620
1-[[3-(3,4-dichlorophenyl)phenyl]methoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrobromide
CID 134117011
6,6-dimethyl-1-(4-phenylbutan-2-yloxy)-1,3,5-triazine-2,4-diamine;hydrobromide
CID 134120413
(2S)-3-methyl-1-(4-phenylphenoxy)butan-2-amine
CID 39109994
1-[(3-fluorophenyl)methoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrobromide
CID 134126228
1-(4-phenylphenoxy)butan-2-amine
CID 62039154
6,6-dimethyl-1-[(2,4,5-trichlorophenoxy)methoxy]-1,3,5-triazine-2,4-diamine;hydrochloride
CID 44523150

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-1-[(2S)-2-methyl-3-(4-phenylphenoxy)propoxy]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6,6-dimethyl-1-[(2S)-2-methyl-3-(4-phenylphenoxy)propoxy]-1,3,5-triazine-2,4-diamine (CID 44522017) is 6,6-dimethyl-1-[(2S)-2-methyl-3-(4-phenylphenoxy)propoxy]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6,6-dimethyl-1-[(2S)-2-methyl-3-(4-phenylphenoxy)propoxy]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6,6-dimethyl-1-[(2S)-2-methyl-3-(4-phenylphenoxy)propoxy]-1,3,5-triazine-2,4-diamine is C[C@@H](COc1ccc(-c2ccccc2)cc1)CON1C(N)=NC(N)=NC1(C)C.
What is the InChIKey of 6,6-dimethyl-1-[(2S)-2-methyl-3-(4-phenylphenoxy)propoxy]-1,3,5-triazine-2,4-diamine?
The InChIKey is MPQDUZSOQKYXFW-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-15(14-28-26-20(23)24-19(22)25-21(26,2)3)13-27-18-11-9-17(10-12-18)16-7-5-4-6-8-16/h4-12,15H,13-14H2,1-3H3,(H4,22,23,24,25)/t15-/m0/s1.
What are the key properties of 6,6-dimethyl-1-[(2S)-2-methyl-3-(4-phenylphenoxy)propoxy]-1,3,5-triazine-2,4-diamine?
6,6-dimethyl-1-[(2S)-2-methyl-3-(4-phenylphenoxy)propoxy]-1,3,5-triazine-2,4-diamine has a molecular weight of 381.48 g/mol, XLogP of 2.98, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-1-[(2S)-2-methyl-3-(4-phenylphenoxy)propoxy]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 44522017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).