2-[(1-methylpyrrolidin-2-yl)methoxy]-4-(trifluoromethyl)pyrimidine

C11H14F3N3O — CID 126953935

IUPAC2-[(1-methylpyrrolidin-2-yl)methoxy]-4-(trifluoromethyl)pyrimidine
SMILESCN1CCCC1COc1nccc(C(F)(F)F)n1
InChIInChI=1S/C11H14F3N3O/c1-17-6-2-3-8(17)7-18-10-15-5-4-9(16-10)11(12,13)14/h4-5,8H,2-3,6-7H2,1H3
InChIKeyIFSKLILCKCWFCF-UHFFFAOYSA-N
MW261.25 g/mol
LogP1.97
Rot. Bonds3

About 2-[(1-methylpyrrolidin-2-yl)methoxy]-4-(trifluoromethyl)pyrimidine

2-[(1-methylpyrrolidin-2-yl)methoxy]-4-(trifluoromethyl)pyrimidine (PubChem CID 126953935) has the molecular formula C11H14F3N3O and a molecular weight of 261.25 g/mol. Its IUPAC name is 2-[(1-methylpyrrolidin-2-yl)methoxy]-4-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-[(1-methylpyrrolidin-2-yl)methoxy]-4-(trifluoromethyl)pyrimidine
PubChem CID126953935
Molecular FormulaC11H14F3N3O
Molecular Weight261.25 g/mol
Exact Mass261.11
IUPAC Name2-[(1-methylpyrrolidin-2-yl)methoxy]-4-(trifluoromethyl)pyrimidine
SMILESCN1CCCC1COc1nccc(C(F)(F)F)n1
InChIInChI=1S/C11H14F3N3O/c1-17-6-2-3-8(17)7-18-10-15-5-4-9(16-10)11(12,13)14/h4-5,8H,2-3,6-7H2,1H3
InChIKeyIFSKLILCKCWFCF-UHFFFAOYSA-N
XLogP1.97
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylpyrrolidin-2-yl)methoxy]-4-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-[(1-methylpyrrolidin-2-yl)methoxy]-4-(trifluoromethyl)pyrimidine (CID 126953935) is 2-[(1-methylpyrrolidin-2-yl)methoxy]-4-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-[(1-methylpyrrolidin-2-yl)methoxy]-4-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-[(1-methylpyrrolidin-2-yl)methoxy]-4-(trifluoromethyl)pyrimidine is CN1CCCC1COc1nccc(C(F)(F)F)n1.
What is the InChIKey of 2-[(1-methylpyrrolidin-2-yl)methoxy]-4-(trifluoromethyl)pyrimidine?
The InChIKey is IFSKLILCKCWFCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O/c1-17-6-2-3-8(17)7-18-10-15-5-4-9(16-10)11(12,13)14/h4-5,8H,2-3,6-7H2,1H3.
What are the key properties of 2-[(1-methylpyrrolidin-2-yl)methoxy]-4-(trifluoromethyl)pyrimidine?
2-[(1-methylpyrrolidin-2-yl)methoxy]-4-(trifluoromethyl)pyrimidine has a molecular weight of 261.25 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylpyrrolidin-2-yl)methoxy]-4-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 126953935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).