4-methoxy-N,6-dimethyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrimidin-2-amine

C15H16F3N3O2 — CID 167840227

IUPAC4-methoxy-N,6-dimethyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrimidin-2-amine
SMILESCOc1cc(C)nc(N(C)Cc2cccc(OC(F)(F)F)c2)n1
InChIInChI=1S/C15H16F3N3O2/c1-10-7-13(22-3)20-14(19-10)21(2)9-11-5-4-6-12(8-11)23-15(16,17)18/h4-8H,9H2,1-3H3
InChIKeyJOFITZPLHHAHLS-UHFFFAOYSA-N
MW327.31 g/mol
LogP3.33
Rot. Bonds5

About 4-methoxy-N,6-dimethyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrimidin-2-amine

4-methoxy-N,6-dimethyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrimidin-2-amine (PubChem CID 167840227) has the molecular formula C15H16F3N3O2 and a molecular weight of 327.31 g/mol. Its IUPAC name is 4-methoxy-N,6-dimethyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-methoxy-N,6-dimethyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrimidin-2-amine
PubChem CID167840227
Molecular FormulaC15H16F3N3O2
Molecular Weight327.31 g/mol
Exact Mass327.12
IUPAC Name4-methoxy-N,6-dimethyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrimidin-2-amine
SMILESCOc1cc(C)nc(N(C)Cc2cccc(OC(F)(F)F)c2)n1
InChIInChI=1S/C15H16F3N3O2/c1-10-7-13(22-3)20-14(19-10)21(2)9-11-5-4-6-12(8-11)23-15(16,17)18/h4-8H,9H2,1-3H3
InChIKeyJOFITZPLHHAHLS-UHFFFAOYSA-N
XLogP3.33
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-methoxyphenyl)methyl-methylamino]-6-methylpyrimidine-4-carbothioamide
CID 107546784
4-methoxy-N,6-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-2-amine
CID 138042899
6-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pyridazin-3-amine
CID 133362551
N-benzyl-N,4,6-trimethylpyrimidin-2-amine
CID 734467
N-[(3-fluoro-4-methoxyphenyl)methyl]-N,4,6-trimethylpyrimidin-2-amine
CID 78836350
5-fluoro-N-[(3-methoxyphenyl)methyl]-N-methylpyrimidin-2-amine
CID 171328588
[2-[(3-methoxyphenyl)methyl-methylamino]-4,6-dimethyl-3-pyridinyl]methanol
CID 61417707
6-chloro-2-N-[(3-methoxyphenyl)methyl]-2-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80794627
4,6-dimethoxy-N-methyl-N-(pyridin-4-ylmethyl)pyrimidin-2-amine
CID 171691462
1-(trifluoromethoxy)-3-[[3-(trifluoromethoxy)phenyl]methyl]benzene
CID 87763466
N,4-dimethyl-3-nitro-N-[[3-(trifluoromethoxy)phenyl]methyl]pyridin-2-amine
CID 133361476
N,4,6-trimethyl-N-(pyridin-3-ylmethyl)pyrimidin-2-amine
CID 78845350

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N,6-dimethyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrimidin-2-amine?
The IUPAC name of 4-methoxy-N,6-dimethyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrimidin-2-amine (CID 167840227) is 4-methoxy-N,6-dimethyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrimidin-2-amine.
What is the SMILES notation for 4-methoxy-N,6-dimethyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrimidin-2-amine?
The canonical SMILES for 4-methoxy-N,6-dimethyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrimidin-2-amine is COc1cc(C)nc(N(C)Cc2cccc(OC(F)(F)F)c2)n1.
What is the InChIKey of 4-methoxy-N,6-dimethyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrimidin-2-amine?
The InChIKey is JOFITZPLHHAHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O2/c1-10-7-13(22-3)20-14(19-10)21(2)9-11-5-4-6-12(8-11)23-15(16,17)18/h4-8H,9H2,1-3H3.
What are the key properties of 4-methoxy-N,6-dimethyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrimidin-2-amine?
4-methoxy-N,6-dimethyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrimidin-2-amine has a molecular weight of 327.31 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N,6-dimethyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 167840227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).