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

C17H17F3N4O3 — CID 162667254

IUPAC6-methyl-2-[3-[[4-(trifluoromethyl)-3-pyridinyl]oxymethyl]pyrrolidin-1-yl]pyrimidine-4-carboxylic acid
SMILESCc1cc(C(=O)O)nc(N2CCC(COc3cnccc3C(F)(F)F)C2)n1
InChIInChI=1S/C17H17F3N4O3/c1-10-6-13(15(25)26)23-16(22-10)24-5-3-11(8-24)9-27-14-7-21-4-2-12(14)17(18,19)20/h2,4,6-7,11H,3,5,8-9H2,1H3,(H,25,26)
InChIKeyIEDPGHAEGUTECC-UHFFFAOYSA-N
MW382.34 g/mol
LogP2.80
Rot. Bonds5

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

6-methyl-2-[3-[[4-(trifluoromethyl)-3-pyridinyl]oxymethyl]pyrrolidin-1-yl]pyrimidine-4-carboxylic acid (PubChem CID 162667254) has the molecular formula C17H17F3N4O3 and a molecular weight of 382.34 g/mol. Its IUPAC name is 6-methyl-2-[3-[[4-(trifluoromethyl)-3-pyridinyl]oxymethyl]pyrrolidin-1-yl]pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-methyl-2-[3-[[4-(trifluoromethyl)-3-pyridinyl]oxymethyl]pyrrolidin-1-yl]pyrimidine-4-carboxylic acid
PubChem CID162667254
Molecular FormulaC17H17F3N4O3
Molecular Weight382.34 g/mol
Exact Mass382.13
IUPAC Name6-methyl-2-[3-[[4-(trifluoromethyl)-3-pyridinyl]oxymethyl]pyrrolidin-1-yl]pyrimidine-4-carboxylic acid
SMILESCc1cc(C(=O)O)nc(N2CCC(COc3cnccc3C(F)(F)F)C2)n1
InChIInChI=1S/C17H17F3N4O3/c1-10-6-13(15(25)26)23-16(22-10)24-5-3-11(8-24)9-27-14-7-21-4-2-12(14)17(18,19)20/h2,4,6-7,11H,3,5,8-9H2,1H3,(H,25,26)
InChIKeyIEDPGHAEGUTECC-UHFFFAOYSA-N
XLogP2.80
TPSA88.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.34
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

5-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-1-[4-(trifluoromethyl)pyrimidin-2-yl]-3,4-dihydro-2H-pyridine-4-carboxylic acid
CID 9985365
6-Methyl-2-[3-[[2-(trifluoromethyl)phenoxy]methyl]pyrrolidin-1-yl]pyrimidine-4-carboxylic acid
CID 162647737
6-methyl-2-[(3R)-3-[[2-(trifluoromethyl)phenoxy]methyl]pyrrolidin-1-yl]pyrimidine-4-carboxylic acid
CID 162649660
2-[3-[[4-Fluoro-2-(trifluoromethyl)phenoxy]methyl]pyrrolidin-1-yl]-6-methylpyrimidine-4-carboxylic acid
CID 162653710
6-methyl-2-[(3S)-3-[[2-(trifluoromethyl)phenoxy]methyl]pyrrolidin-1-yl]pyrimidine-4-carboxylic acid
CID 162653905
6-Methyl-2-[3-[[2-(trifluoromethyl)phenoxy]methyl]piperidin-1-yl]pyrimidine-4-carboxylic acid
CID 162654467
6-Methyl-2-[3-[[2-(trifluoromethyl)phenoxy]methyl]azetidin-1-yl]pyrimidine-4-carboxylic acid
CID 162657583
6-Methyl-2-[3-[[2-(trifluoromethyl)-3-pyridinyl]oxymethyl]pyrrolidin-1-yl]pyrimidine-4-carboxylic acid
CID 162658967
2-[3-[[5-Fluoro-2-(trifluoromethyl)phenoxy]methyl]pyrrolidin-1-yl]-6-methylpyrimidine-4-carboxylic acid
CID 162659611
4-Methyl-6-[3-[[2-(trifluoromethyl)phenoxy]methyl]pyrrolidin-1-yl]pyridine-2-carboxylic acid
CID 162659936
2-[3-[[2-Fluoro-6-(trifluoromethyl)phenoxy]methyl]pyrrolidin-1-yl]-6-methylpyrimidine-4-carboxylic acid
CID 162664453
5-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-1-[4-(trifluoromethyl)pyrimidin-2-yl]-3,6-dihydro-2H-pyridine-4-carboxylic acid
CID 44449076

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[3-[[4-(trifluoromethyl)-3-pyridinyl]oxymethyl]pyrrolidin-1-yl]pyrimidine-4-carboxylic acid?
The IUPAC name of 6-methyl-2-[3-[[4-(trifluoromethyl)-3-pyridinyl]oxymethyl]pyrrolidin-1-yl]pyrimidine-4-carboxylic acid (CID 162667254) is 6-methyl-2-[3-[[4-(trifluoromethyl)-3-pyridinyl]oxymethyl]pyrrolidin-1-yl]pyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-methyl-2-[3-[[4-(trifluoromethyl)-3-pyridinyl]oxymethyl]pyrrolidin-1-yl]pyrimidine-4-carboxylic acid?
The canonical SMILES for 6-methyl-2-[3-[[4-(trifluoromethyl)-3-pyridinyl]oxymethyl]pyrrolidin-1-yl]pyrimidine-4-carboxylic acid is Cc1cc(C(=O)O)nc(N2CCC(COc3cnccc3C(F)(F)F)C2)n1.
What is the InChIKey of 6-methyl-2-[3-[[4-(trifluoromethyl)-3-pyridinyl]oxymethyl]pyrrolidin-1-yl]pyrimidine-4-carboxylic acid?
The InChIKey is IEDPGHAEGUTECC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N4O3/c1-10-6-13(15(25)26)23-16(22-10)24-5-3-11(8-24)9-27-14-7-21-4-2-12(14)17(18,19)20/h2,4,6-7,11H,3,5,8-9H2,1H3,(H,25,26).
What are the key properties of 6-methyl-2-[3-[[4-(trifluoromethyl)-3-pyridinyl]oxymethyl]pyrrolidin-1-yl]pyrimidine-4-carboxylic acid?
6-methyl-2-[3-[[4-(trifluoromethyl)-3-pyridinyl]oxymethyl]pyrrolidin-1-yl]pyrimidine-4-carboxylic acid has a molecular weight of 382.34 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[3-[[4-(trifluoromethyl)-3-pyridinyl]oxymethyl]pyrrolidin-1-yl]pyrimidine-4-carboxylic acid is sourced from PubChem (CID 162667254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).