2-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methoxy]-5-fluoro-N-methylpyrimidin-4-amine

C15H12F4N6O2 — CID 130309795

IUPAC2-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methoxy]-5-fluoro-N-methylpyrimidin-4-amine
SMILESCNc1nc(OCc2cn(-c3ccc(F)c(OC(F)F)c3)nn2)ncc1F
InChIInChI=1S/C15H12F4N6O2/c1-20-13-11(17)5-21-15(22-13)26-7-8-6-25(24-23-8)9-2-3-10(16)12(4-9)27-14(18)19/h2-6,14H,7H2,1H3,(H,20,21,22)
InChIKeyDQOMPHGTVDBHJA-UHFFFAOYSA-N
MW384.29 g/mol
LogP2.56
Rot. Bonds7

About 2-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methoxy]-5-fluoro-N-methylpyrimidin-4-amine

2-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methoxy]-5-fluoro-N-methylpyrimidin-4-amine (PubChem CID 130309795) has the molecular formula C15H12F4N6O2 and a molecular weight of 384.29 g/mol. Its IUPAC name is 2-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methoxy]-5-fluoro-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methoxy]-5-fluoro-N-methylpyrimidin-4-amine
PubChem CID130309795
Molecular FormulaC15H12F4N6O2
Molecular Weight384.29 g/mol
Exact Mass384.10
IUPAC Name2-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methoxy]-5-fluoro-N-methylpyrimidin-4-amine
SMILESCNc1nc(OCc2cn(-c3ccc(F)c(OC(F)F)c3)nn2)ncc1F
InChIInChI=1S/C15H12F4N6O2/c1-20-13-11(17)5-21-15(22-13)26-7-8-6-25(24-23-8)9-2-3-10(16)12(4-9)27-14(18)19/h2-6,14H,7H2,1H3,(H,20,21,22)
InChIKeyDQOMPHGTVDBHJA-UHFFFAOYSA-N
XLogP2.56
TPSA86.98 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.29
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methoxy]-5-fluoro-N-methylpyrimidin-4-amine with MolForge

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Related Compounds

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
CID 118051925
CID 118051925
US10071988, Example 374
CID 130302340
US10071988, Example 167
CID 130302351
US10071988, Example 2
CID 130309368
US10071988, Example 10
CID 130309375
4-[[1-[4-Chloro-3-(difluoromethoxy)phenyl]triazol-4-
CID 130309378

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methoxy]-5-fluoro-N-methylpyrimidin-4-amine?
The IUPAC name of 2-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methoxy]-5-fluoro-N-methylpyrimidin-4-amine (CID 130309795) is 2-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methoxy]-5-fluoro-N-methylpyrimidin-4-amine.
What is the SMILES notation for 2-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methoxy]-5-fluoro-N-methylpyrimidin-4-amine?
The canonical SMILES for 2-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methoxy]-5-fluoro-N-methylpyrimidin-4-amine is CNc1nc(OCc2cn(-c3ccc(F)c(OC(F)F)c3)nn2)ncc1F.
What is the InChIKey of 2-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methoxy]-5-fluoro-N-methylpyrimidin-4-amine?
The InChIKey is DQOMPHGTVDBHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F4N6O2/c1-20-13-11(17)5-21-15(22-13)26-7-8-6-25(24-23-8)9-2-3-10(16)12(4-9)27-14(18)19/h2-6,14H,7H2,1H3,(H,20,21,22).
What are the key properties of 2-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methoxy]-5-fluoro-N-methylpyrimidin-4-amine?
2-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methoxy]-5-fluoro-N-methylpyrimidin-4-amine has a molecular weight of 384.29 g/mol, XLogP of 2.56, 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]-5-fluoro-N-methylpyrimidin-4-amine is sourced from PubChem (CID 130309795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).