2-[(3S)-1-methylpyrrolidin-3-yl]oxy-4-(trifluoromethyl)pyrimidine

C10H12F3N3O — CID 164630287

IUPAC2-[(3S)-1-methylpyrrolidin-3-yl]oxy-4-(trifluoromethyl)pyrimidine
SMILESCN1CC[C@H](Oc2nccc(C(F)(F)F)n2)C1
InChIInChI=1S/C10H12F3N3O/c1-16-5-3-7(6-16)17-9-14-4-2-8(15-9)10(11,12)13/h2,4,7H,3,5-6H2,1H3/t7-/m0/s1
InChIKeyQWOGOHQHNXJNBA-ZETCQYMHSA-N
MW247.22 g/mol
LogP1.58
Rot. Bonds2

About 2-[(3S)-1-methylpyrrolidin-3-yl]oxy-4-(trifluoromethyl)pyrimidine

2-[(3S)-1-methylpyrrolidin-3-yl]oxy-4-(trifluoromethyl)pyrimidine (PubChem CID 164630287) has the molecular formula C10H12F3N3O and a molecular weight of 247.22 g/mol. Its IUPAC name is 2-[(3S)-1-methylpyrrolidin-3-yl]oxy-4-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-[(3S)-1-methylpyrrolidin-3-yl]oxy-4-(trifluoromethyl)pyrimidine
PubChem CID164630287
Molecular FormulaC10H12F3N3O
Molecular Weight247.22 g/mol
Exact Mass247.09
IUPAC Name2-[(3S)-1-methylpyrrolidin-3-yl]oxy-4-(trifluoromethyl)pyrimidine
SMILESCN1CC[C@H](Oc2nccc(C(F)(F)F)n2)C1
InChIInChI=1S/C10H12F3N3O/c1-16-5-3-7(6-16)17-9-14-4-2-8(15-9)10(11,12)13/h2,4,7H,3,5-6H2,1H3/t7-/m0/s1
InChIKeyQWOGOHQHNXJNBA-ZETCQYMHSA-N
XLogP1.58
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1-methylpyrrolidin-3-yl]oxy-4-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-[(3S)-1-methylpyrrolidin-3-yl]oxy-4-(trifluoromethyl)pyrimidine (CID 164630287) is 2-[(3S)-1-methylpyrrolidin-3-yl]oxy-4-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-[(3S)-1-methylpyrrolidin-3-yl]oxy-4-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-[(3S)-1-methylpyrrolidin-3-yl]oxy-4-(trifluoromethyl)pyrimidine is CN1CC[C@H](Oc2nccc(C(F)(F)F)n2)C1.
What is the InChIKey of 2-[(3S)-1-methylpyrrolidin-3-yl]oxy-4-(trifluoromethyl)pyrimidine?
The InChIKey is QWOGOHQHNXJNBA-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H12F3N3O/c1-16-5-3-7(6-16)17-9-14-4-2-8(15-9)10(11,12)13/h2,4,7H,3,5-6H2,1H3/t7-/m0/s1.
What are the key properties of 2-[(3S)-1-methylpyrrolidin-3-yl]oxy-4-(trifluoromethyl)pyrimidine?
2-[(3S)-1-methylpyrrolidin-3-yl]oxy-4-(trifluoromethyl)pyrimidine has a molecular weight of 247.22 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1-methylpyrrolidin-3-yl]oxy-4-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 164630287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).