2-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methoxy]-N-methylpyrimidin-4-amine

C15H13F3N6O2 — CID 130309786

IUPAC2-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methoxy]-N-methylpyrimidin-4-amine
SMILESCNc1ccnc(OCc2cn(-c3ccc(F)c(OC(F)F)c3)nn2)n1
InChIInChI=1S/C15H13F3N6O2/c1-19-13-4-5-20-15(21-13)25-8-9-7-24(23-22-9)10-2-3-11(16)12(6-10)26-14(17)18/h2-7,14H,8H2,1H3,(H,19,20,21)
InChIKeyDXOYYFQRTPZDDN-UHFFFAOYSA-N
MW366.30 g/mol
LogP2.42
Rot. Bonds7

About 2-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methoxy]-N-methylpyrimidin-4-amine

2-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methoxy]-N-methylpyrimidin-4-amine (PubChem CID 130309786) has the molecular formula C15H13F3N6O2 and a molecular weight of 366.30 g/mol. Its IUPAC name is 2-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methoxy]-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methoxy]-N-methylpyrimidin-4-amine
PubChem CID130309786
Molecular FormulaC15H13F3N6O2
Molecular Weight366.30 g/mol
Exact Mass366.11
IUPAC Name2-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methoxy]-N-methylpyrimidin-4-amine
SMILESCNc1ccnc(OCc2cn(-c3ccc(F)c(OC(F)F)c3)nn2)n1
InChIInChI=1S/C15H13F3N6O2/c1-19-13-4-5-20-15(21-13)25-8-9-7-24(23-22-9)10-2-3-11(16)12(6-10)26-14(17)18/h2-7,14H,8H2,1H3,(H,19,20,21)
InChIKeyDXOYYFQRTPZDDN-UHFFFAOYSA-N
XLogP2.42
TPSA86.98 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.30
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-fluoro-4-N-[[(3S)-1-(2-methoxyethyl)piperidin-3-yl]methyl]-2-N-[3-methoxy-5-(5-methyltetrazol-1-yl)phenyl]pyrimidine-2,4-diamine
CID 122180033
6-(1H-imidazol-1-yl)-N-(3-methoxyphenyl)-3-pyridazinamine
CID 2982509
N-[3-[4-[3-(ethoxymethyl)-5-(4-fluorophenyl)triazol-4-yl]pyrimidin-2-yl]oxyphenyl]acetamide
CID 9803699
4-(3-Methoxyanilino)-2-(2-pyridinyl)-6-(trifluoromethyl)pyrimidine
CID 9950111
4-(2,5-Dimethoxyanilino)-2-(2-pyridinyl)-6-(trifluoromethyl)pyrimidine
CID 9969752
4-(3,5-Dimethoxyanilino)-2-(2-pyrazinyl)-6-trifluoromethylpyrimidine
CID 10110112
4-(2,5-Dimethoxyanilino)-2-(2-pyrazinyl)-6-(trifluoromethyl)pyrimidine
CID 10134174
N-propyl-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine
CID 57391610
8-(3,5-difluorophenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
CID 91755037
CID 118051925
CID 118051925
US10071988, Example 374
CID 130302340
US10071988, Example 167
CID 130302351

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methoxy]-N-methylpyrimidin-4-amine?
The IUPAC name of 2-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methoxy]-N-methylpyrimidin-4-amine (CID 130309786) is 2-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methoxy]-N-methylpyrimidin-4-amine.
What is the SMILES notation for 2-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methoxy]-N-methylpyrimidin-4-amine?
The canonical SMILES for 2-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methoxy]-N-methylpyrimidin-4-amine is CNc1ccnc(OCc2cn(-c3ccc(F)c(OC(F)F)c3)nn2)n1.
What is the InChIKey of 2-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methoxy]-N-methylpyrimidin-4-amine?
The InChIKey is DXOYYFQRTPZDDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N6O2/c1-19-13-4-5-20-15(21-13)25-8-9-7-24(23-22-9)10-2-3-11(16)12(6-10)26-14(17)18/h2-7,14H,8H2,1H3,(H,19,20,21).
What are the key properties of 2-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methoxy]-N-methylpyrimidin-4-amine?
2-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methoxy]-N-methylpyrimidin-4-amine has a molecular weight of 366.30 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methoxy]-N-methylpyrimidin-4-amine is sourced from PubChem (CID 130309786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).