2-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]-4-(trifluoromethyl)pyrimidine

C14H13F3N4 — CID 31536956

IUPAC2-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]-4-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1ccnc(N2CCC[C@H]2c2cccnc2)n1
InChIInChI=1S/C14H13F3N4/c15-14(16,17)12-5-7-19-13(20-12)21-8-2-4-11(21)10-3-1-6-18-9-10/h1,3,5-7,9,11H,2,4,8H2/t11-/m0/s1
InChIKeyCBMZAKRHCRHVQA-NSHDSACASA-N
MW294.28 g/mol
LogP3.23
Rot. Bonds2

About 2-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]-4-(trifluoromethyl)pyrimidine

2-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]-4-(trifluoromethyl)pyrimidine (PubChem CID 31536956) has the molecular formula C14H13F3N4 and a molecular weight of 294.28 g/mol. Its IUPAC name is 2-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]-4-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]-4-(trifluoromethyl)pyrimidine
PubChem CID31536956
Molecular FormulaC14H13F3N4
Molecular Weight294.28 g/mol
Exact Mass294.11
IUPAC Name2-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]-4-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1ccnc(N2CCC[C@H]2c2cccnc2)n1
InChIInChI=1S/C14H13F3N4/c15-14(16,17)12-5-7-19-13(20-12)21-8-2-4-11(21)10-3-1-6-18-9-10/h1,3,5-7,9,11H,2,4,8H2/t11-/m0/s1
InChIKeyCBMZAKRHCRHVQA-NSHDSACASA-N
XLogP3.23
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-4-(trifluoromethyl)pyrimidine
CID 95569651
2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]-4-(trifluoromethyl)pyrimidine
CID 97012968
5-methyl-3-[(2S)-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 97074164
hydron;bis(3-(1-methylpyrrolidin-2-yl)pyridine)
CID 158783488
3-(1-methyl(115N)azolidin-2-yl)pyridine
CID 11126596
CID 159245541
CID 159245541
ethane;3-(1-methylpyrrolidin-2-yl)pyridine
CID 144528341
3-(1-methylpyrrolidin-2-yl)pyridine;zinc
CID 67468212
2-[(2S)-2-methylazetidin-1-yl]-4-(trifluoromethyl)pyrimidine
CID 166068939
pyridin-3-yl-[(3S)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]methanone
CID 97153254
pyridin-3-yl-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]methanone
CID 72933635
methanol;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 174330723

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]-4-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]-4-(trifluoromethyl)pyrimidine (CID 31536956) is 2-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]-4-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]-4-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]-4-(trifluoromethyl)pyrimidine is FC(F)(F)c1ccnc(N2CCC[C@H]2c2cccnc2)n1.
What is the InChIKey of 2-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]-4-(trifluoromethyl)pyrimidine?
The InChIKey is CBMZAKRHCRHVQA-NSHDSACASA-N. The full InChI is InChI=1S/C14H13F3N4/c15-14(16,17)12-5-7-19-13(20-12)21-8-2-4-11(21)10-3-1-6-18-9-10/h1,3,5-7,9,11H,2,4,8H2/t11-/m0/s1.
What are the key properties of 2-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]-4-(trifluoromethyl)pyrimidine?
2-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]-4-(trifluoromethyl)pyrimidine has a molecular weight of 294.28 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]-4-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 31536956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).