methyl 6-methyl-2-[3-[[2-(trifluoromethyl)-3-pyridinyl]oxymethyl]pyrrolidin-1-yl]pyrimidine-4-carboxylate

C18H19F3N4O3 — CID 170364090

IUPACmethyl 6-methyl-2-[3-[[2-(trifluoromethyl)-3-pyridinyl]oxymethyl]pyrrolidin-1-yl]pyrimidine-4-carboxylate
SMILESCOC(=O)c1cc(C)nc(N2CCC(COc3cccnc3C(F)(F)F)C2)n1
InChIInChI=1S/C18H19F3N4O3/c1-11-8-13(16(26)27-2)24-17(23-11)25-7-5-12(9-25)10-28-14-4-3-6-22-15(14)18(19,20)21/h3-4,6,8,12H,5,7,9-10H2,1-2H3
InChIKeyAKBMQXXHLSMSEA-UHFFFAOYSA-N
MW396.37 g/mol
LogP2.89
Rot. Bonds5

About methyl 6-methyl-2-[3-[[2-(trifluoromethyl)-3-pyridinyl]oxymethyl]pyrrolidin-1-yl]pyrimidine-4-carboxylate

methyl 6-methyl-2-[3-[[2-(trifluoromethyl)-3-pyridinyl]oxymethyl]pyrrolidin-1-yl]pyrimidine-4-carboxylate (PubChem CID 170364090) has the molecular formula C18H19F3N4O3 and a molecular weight of 396.37 g/mol. Its IUPAC name is methyl 6-methyl-2-[3-[[2-(trifluoromethyl)-3-pyridinyl]oxymethyl]pyrrolidin-1-yl]pyrimidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 6-methyl-2-[3-[[2-(trifluoromethyl)-3-pyridinyl]oxymethyl]pyrrolidin-1-yl]pyrimidine-4-carboxylate
PubChem CID170364090
Molecular FormulaC18H19F3N4O3
Molecular Weight396.37 g/mol
Exact Mass396.14
IUPAC Namemethyl 6-methyl-2-[3-[[2-(trifluoromethyl)-3-pyridinyl]oxymethyl]pyrrolidin-1-yl]pyrimidine-4-carboxylate
SMILESCOC(=O)c1cc(C)nc(N2CCC(COc3cccnc3C(F)(F)F)C2)n1
InChIInChI=1S/C18H19F3N4O3/c1-11-8-13(16(26)27-2)24-17(23-11)25-7-5-12(9-25)10-28-14-4-3-6-22-15(14)18(19,20)21/h3-4,6,8,12H,5,7,9-10H2,1-2H3
InChIKeyAKBMQXXHLSMSEA-UHFFFAOYSA-N
XLogP2.89
TPSA77.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.37
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 6-methyl-2-[3-[[2-(trifluoromethyl)-3-pyridinyl]oxymethyl]pyrrolidin-1-yl]pyrimidine-4-carboxylate with MolForge

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Related Compounds

2-[(3R)-3-[(2-cyclopentylphenoxy)methyl]pyrrolidin-1-yl]-6-methylpyrimidine-4-carboxylic acid
CID 175930848
2-[3-[(2-cyclohexylphenoxy)methyl]pyrrolidin-1-yl]-6-methylpyrimidine-4-carboxylic acid
CID 162662460
2-[3-[(2-tert-butylphenoxy)methyl]azetidin-1-yl]-6-methylpyrimidine-4-carboxylic acid
CID 170364036
methyl 6-methyl-2-[3-[2-(trifluoromethyl)phenoxy]azetidin-1-yl]pyrimidine-4-carboxylate
CID 163972344
methyl 2-(4-aminopiperidin-1-yl)-6-methylpyrimidine-4-carboxylate
CID 69357108
methyl 6-[3-[[2-(trifluoromethyl)phenoxy]methyl]pyrrolidin-1-yl]pyridine-2-carboxylate
CID 170364130
[6-(4-fluorophenyl)-5-methylpyrrolo[2,3-b]pyrazin-3-yl]-[3-[[2-(trifluoromethyl)-3-pyridinyl]oxymethyl]piperidin-1-yl]methanone
CID 166104437
1-(2,2-difluoroethyl)-6-[3-[[2-(trifluoromethyl)-3-pyridinyl]oxymethyl]piperidin-1-yl]pyrazolo[3,4-d]pyrimidine
CID 166104306
1H-indol-6-yl-[(3S,5S)-3-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]oxymethyl]piperidin-1-yl]methanone
CID 166105198
(5-methyl-6-phenylpyrrolo[2,3-b]pyrazin-2-yl)-[3-[[2-(trifluoromethyl)-3-pyridinyl]oxymethyl]piperidin-1-yl]methanone
CID 166104978
[2-[[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoxy]carbonyloxymethyl]-3-[6-methyl-2-[3-[[2-(trifluoromethyl)phenoxy]methyl]pyrrolidin-1-yl]pyrimidine-4-carbonyl]oxypropyl] 6-methyl-2-[3-[[2-(trifluoromethyl)phenoxy]methyl]pyrrolidin-1-yl]pyrimidine-4-carboxylate
CID 176574080
[1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-3-yl]methanol
CID 62373112

Frequently Asked Questions

What is the IUPAC name of methyl 6-methyl-2-[3-[[2-(trifluoromethyl)-3-pyridinyl]oxymethyl]pyrrolidin-1-yl]pyrimidine-4-carboxylate?
The IUPAC name of methyl 6-methyl-2-[3-[[2-(trifluoromethyl)-3-pyridinyl]oxymethyl]pyrrolidin-1-yl]pyrimidine-4-carboxylate (CID 170364090) is methyl 6-methyl-2-[3-[[2-(trifluoromethyl)-3-pyridinyl]oxymethyl]pyrrolidin-1-yl]pyrimidine-4-carboxylate.
What is the SMILES notation for methyl 6-methyl-2-[3-[[2-(trifluoromethyl)-3-pyridinyl]oxymethyl]pyrrolidin-1-yl]pyrimidine-4-carboxylate?
The canonical SMILES for methyl 6-methyl-2-[3-[[2-(trifluoromethyl)-3-pyridinyl]oxymethyl]pyrrolidin-1-yl]pyrimidine-4-carboxylate is COC(=O)c1cc(C)nc(N2CCC(COc3cccnc3C(F)(F)F)C2)n1.
What is the InChIKey of methyl 6-methyl-2-[3-[[2-(trifluoromethyl)-3-pyridinyl]oxymethyl]pyrrolidin-1-yl]pyrimidine-4-carboxylate?
The InChIKey is AKBMQXXHLSMSEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4O3/c1-11-8-13(16(26)27-2)24-17(23-11)25-7-5-12(9-25)10-28-14-4-3-6-22-15(14)18(19,20)21/h3-4,6,8,12H,5,7,9-10H2,1-2H3.
What are the key properties of methyl 6-methyl-2-[3-[[2-(trifluoromethyl)-3-pyridinyl]oxymethyl]pyrrolidin-1-yl]pyrimidine-4-carboxylate?
methyl 6-methyl-2-[3-[[2-(trifluoromethyl)-3-pyridinyl]oxymethyl]pyrrolidin-1-yl]pyrimidine-4-carboxylate has a molecular weight of 396.37 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-methyl-2-[3-[[2-(trifluoromethyl)-3-pyridinyl]oxymethyl]pyrrolidin-1-yl]pyrimidine-4-carboxylate is sourced from PubChem (CID 170364090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).