4-(4,6-dimethoxypyrimidin-2-yl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]aniline

C19H17F3N4O2 — CID 24734019

IUPAC4-(4,6-dimethoxypyrimidin-2-yl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]aniline
SMILESCOc1cc(OC)nc(-c2ccc(NCc3ccc(C(F)(F)F)nc3)cc2)n1
InChIInChI=1S/C19H17F3N4O2/c1-27-16-9-17(28-2)26-18(25-16)13-4-6-14(7-5-13)23-10-12-3-8-15(24-11-12)19(20,21)22/h3-9,11,23H,10H2,1-2H3
InChIKeyDVIFIHRSTZICAZ-UHFFFAOYSA-N
MW390.37 g/mol
LogP4.19
Rot. Bonds6

About 4-(4,6-dimethoxypyrimidin-2-yl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]aniline

4-(4,6-dimethoxypyrimidin-2-yl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]aniline (PubChem CID 24734019) has the molecular formula C19H17F3N4O2 and a molecular weight of 390.37 g/mol. Its IUPAC name is 4-(4,6-dimethoxypyrimidin-2-yl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]aniline.

Molecular Properties

Compound Name4-(4,6-dimethoxypyrimidin-2-yl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]aniline
PubChem CID24734019
Molecular FormulaC19H17F3N4O2
Molecular Weight390.37 g/mol
Exact Mass390.13
IUPAC Name4-(4,6-dimethoxypyrimidin-2-yl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]aniline
SMILESCOc1cc(OC)nc(-c2ccc(NCc3ccc(C(F)(F)F)nc3)cc2)n1
InChIInChI=1S/C19H17F3N4O2/c1-27-16-9-17(28-2)26-18(25-16)13-4-6-14(7-5-13)23-10-12-3-8-15(24-11-12)19(20,21)22/h3-9,11,23H,10H2,1-2H3
InChIKeyDVIFIHRSTZICAZ-UHFFFAOYSA-N
XLogP4.19
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.37
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(4,6-dimethoxypyrimidin-2-yl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]aniline with MolForge

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Related Compounds

4-methoxy-N-[(6-methoxy-3-pyridinyl)methyl]aniline
CID 114936317
N-[(3,4-dimethylphenyl)methyl]-6-(trifluoromethyl)pyridin-3-amine
CID 82811109
4,6-dimethoxy-2-[[4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]methyl]pyrimidine
CID 24734018
4-tert-butyl-N-[(6-methoxy-3-pyridinyl)methyl]aniline
CID 114936268
4-[[[6-(trifluoromethyl)-3-pyridinyl]amino]methyl]benzoic acid
CID 82795240
4-N-[(4-methoxyphenyl)methyl]-6-(trifluoromethyl)pyridine-2,4-diamine
CID 177043715
5-[(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrimidin-2-amine
CID 67198646
3,4-dimethoxy-N-[(6-methoxy-3-pyridinyl)methyl]aniline
CID 114936284
6-(trifluoromethyl)-N-[(2,3,4-trimethoxyphenyl)methyl]pyridin-3-amine
CID 75435934
3-chloro-5-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]aniline
CID 105011735
N-(thiophen-3-ylmethyl)-6-(trifluoromethyl)pyridin-3-amine
CID 82810835
2-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]pyrimidine-5-carbaldehyde
CID 58259308

Frequently Asked Questions

What is the IUPAC name of 4-(4,6-dimethoxypyrimidin-2-yl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]aniline?
The IUPAC name of 4-(4,6-dimethoxypyrimidin-2-yl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]aniline (CID 24734019) is 4-(4,6-dimethoxypyrimidin-2-yl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]aniline.
What is the SMILES notation for 4-(4,6-dimethoxypyrimidin-2-yl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]aniline?
The canonical SMILES for 4-(4,6-dimethoxypyrimidin-2-yl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]aniline is COc1cc(OC)nc(-c2ccc(NCc3ccc(C(F)(F)F)nc3)cc2)n1.
What is the InChIKey of 4-(4,6-dimethoxypyrimidin-2-yl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]aniline?
The InChIKey is DVIFIHRSTZICAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O2/c1-27-16-9-17(28-2)26-18(25-16)13-4-6-14(7-5-13)23-10-12-3-8-15(24-11-12)19(20,21)22/h3-9,11,23H,10H2,1-2H3.
What are the key properties of 4-(4,6-dimethoxypyrimidin-2-yl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]aniline?
4-(4,6-dimethoxypyrimidin-2-yl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]aniline has a molecular weight of 390.37 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,6-dimethoxypyrimidin-2-yl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]aniline is sourced from PubChem (CID 24734019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).