2-N-(2,4-dimethoxyphenyl)-6-methyl-4-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine-2,4-diamine

C20H20F3N5O2 — CID 10502161

IUPAC2-N-(2,4-dimethoxyphenyl)-6-methyl-4-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine-2,4-diamine
SMILESCOc1ccc(Nc2nc(C)nc(NCc3ccc(C(F)(F)F)cc3)n2)c(OC)c1
InChIInChI=1S/C20H20F3N5O2/c1-12-25-18(24-11-13-4-6-14(7-5-13)20(21,22)23)28-19(26-12)27-16-9-8-15(29-2)10-17(16)30-3/h4-10H,11H2,1-3H3,(H2,24,25,26,27,28)
InChIKeyDMHRDZUZHVNAKO-UHFFFAOYSA-N
MW419.41 g/mol
LogP4.57
Rot. Bonds7

About 2-N-(2,4-dimethoxyphenyl)-6-methyl-4-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine-2,4-diamine

2-N-(2,4-dimethoxyphenyl)-6-methyl-4-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine-2,4-diamine (PubChem CID 10502161) has the molecular formula C20H20F3N5O2 and a molecular weight of 419.41 g/mol. Its IUPAC name is 2-N-(2,4-dimethoxyphenyl)-6-methyl-4-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2,4-dimethoxyphenyl)-6-methyl-4-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine-2,4-diamine
PubChem CID10502161
Molecular FormulaC20H20F3N5O2
Molecular Weight419.41 g/mol
Exact Mass419.16
IUPAC Name2-N-(2,4-dimethoxyphenyl)-6-methyl-4-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine-2,4-diamine
SMILESCOc1ccc(Nc2nc(C)nc(NCc3ccc(C(F)(F)F)cc3)n2)c(OC)c1
InChIInChI=1S/C20H20F3N5O2/c1-12-25-18(24-11-13-4-6-14(7-5-13)20(21,22)23)28-19(26-12)27-16-9-8-15(29-2)10-17(16)30-3/h4-10H,11H2,1-3H3,(H2,24,25,26,27,28)
InChIKeyDMHRDZUZHVNAKO-UHFFFAOYSA-N
XLogP4.57
TPSA81.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.41
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-N-(2,4-dimethoxyphenyl)-6-methyl-4-N-(4-phenylbutyl)-1,3,5-triazine-2,4-diamine
CID 10548612
2,4-dimethoxy-N-[(4-methoxyphenyl)methyl]aniline
CID 18316983
2-N-(2,4-dimethoxyphenyl)-4-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112890347
4-N-(2,4-dimethoxyphenyl)-2-N-[(4-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112892600
5-N-(2,4-dimethoxyphenyl)-3-N-[(4-methylphenyl)methyl]-1,2,4-triazine-3,5-diamine
CID 112948814
5-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine
CID 114600577
4-N-(2,4-dimethoxyphenyl)-6-methyl-2-N-(2-methylcyclohexyl)-1,3,5-triazine-2,4-diamine
CID 10760798
2-N-[(4-methoxyphenyl)methyl]-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112892604
1-(4-methoxy-2-methylphenyl)-3-[[4-(trifluoromethyl)phenyl]methyl]thiourea
CID 3862295
4-N-(2,4-dimethoxyphenyl)-2-N-[(3,4-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112897338
2-N-(2,4-dimethoxyphenyl)-4-N-(4-ethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112928681
N-[(4-fluoro-3-methylphenyl)methyl]-2,4-dimethoxyaniline
CID 62122449

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,4-dimethoxyphenyl)-6-methyl-4-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(2,4-dimethoxyphenyl)-6-methyl-4-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine-2,4-diamine (CID 10502161) is 2-N-(2,4-dimethoxyphenyl)-6-methyl-4-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(2,4-dimethoxyphenyl)-6-methyl-4-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(2,4-dimethoxyphenyl)-6-methyl-4-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine-2,4-diamine is COc1ccc(Nc2nc(C)nc(NCc3ccc(C(F)(F)F)cc3)n2)c(OC)c1.
What is the InChIKey of 2-N-(2,4-dimethoxyphenyl)-6-methyl-4-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is DMHRDZUZHVNAKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N5O2/c1-12-25-18(24-11-13-4-6-14(7-5-13)20(21,22)23)28-19(26-12)27-16-9-8-15(29-2)10-17(16)30-3/h4-10H,11H2,1-3H3,(H2,24,25,26,27,28).
What are the key properties of 2-N-(2,4-dimethoxyphenyl)-6-methyl-4-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine-2,4-diamine?
2-N-(2,4-dimethoxyphenyl)-6-methyl-4-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 419.41 g/mol, XLogP of 4.57, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,4-dimethoxyphenyl)-6-methyl-4-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 10502161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).