5-[2-[6-(fluoromethyl)-2-pyridinyl]propan-2-yl]pyrimidine

C13H14FN3 — CID 58106995

IUPAC5-[2-[6-(fluoromethyl)-2-pyridinyl]propan-2-yl]pyrimidine
SMILESCC(C)(c1cncnc1)c1cccc(CF)n1
InChIInChI=1S/C13H14FN3/c1-13(2,10-7-15-9-16-8-10)12-5-3-4-11(6-14)17-12/h3-5,7-9H,6H2,1-2H3
InChIKeyQNFITUMOCURUBP-UHFFFAOYSA-N
MW231.27 g/mol
LogP2.67
Rot. Bonds3

About 5-[2-[6-(fluoromethyl)-2-pyridinyl]propan-2-yl]pyrimidine

5-[2-[6-(fluoromethyl)-2-pyridinyl]propan-2-yl]pyrimidine (PubChem CID 58106995) has the molecular formula C13H14FN3 and a molecular weight of 231.27 g/mol. Its IUPAC name is 5-[2-[6-(fluoromethyl)-2-pyridinyl]propan-2-yl]pyrimidine.

Molecular Properties

Compound Name5-[2-[6-(fluoromethyl)-2-pyridinyl]propan-2-yl]pyrimidine
PubChem CID58106995
Molecular FormulaC13H14FN3
Molecular Weight231.27 g/mol
Exact Mass231.12
IUPAC Name5-[2-[6-(fluoromethyl)-2-pyridinyl]propan-2-yl]pyrimidine
SMILESCC(C)(c1cncnc1)c1cccc(CF)n1
InChIInChI=1S/C13H14FN3/c1-13(2,10-7-15-9-16-8-10)12-5-3-4-11(6-14)17-12/h3-5,7-9H,6H2,1-2H3
InChIKeyQNFITUMOCURUBP-UHFFFAOYSA-N
XLogP2.67
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(fluoromethyl)-6-(2-pyridin-3-ylpropan-2-yl)pyridine
CID 58106779
2-[difluoro(phenyl)methyl]-6-(fluoromethyl)pyridine
CID 58106943
5-(6-tert-butyl-2-pyridinyl)pyrimidine
CID 70990077
1-[6-(fluoromethyl)-2-pyridinyl]-N-methylmethanamine
CID 84763498
2-(fluoromethyl)-6-phenylpyridine
CID 58240037
2,6-bis(fluoromethyl)pyridine;formamide
CID 174876959
2-ethyl-6-[2-(furan-2-yl)propan-2-yl]pyridine
CID 58106682
(2S)-1,1,1-trifluoro-2-[6-(hydroxymethyl)-2-pyridinyl]propan-2-ol
CID 153457012
3-[6-(hydroxymethyl)-2-pyridinyl]-2,2,4,4-tetramethylpentan-3-ol
CID 57068973
1-fluoro-2-pyridin-3-ylpropan-2-ol
CID 89407695
2-tert-butyl-6-(2,2,2-trifluoroethoxymethyl)pyridine
CID 20709426
2-[6-(2-aminoethyl)-2-pyridinyl]propan-2-ol
CID 155007002

Frequently Asked Questions

What is the IUPAC name of 5-[2-[6-(fluoromethyl)-2-pyridinyl]propan-2-yl]pyrimidine?
The IUPAC name of 5-[2-[6-(fluoromethyl)-2-pyridinyl]propan-2-yl]pyrimidine (CID 58106995) is 5-[2-[6-(fluoromethyl)-2-pyridinyl]propan-2-yl]pyrimidine.
What is the SMILES notation for 5-[2-[6-(fluoromethyl)-2-pyridinyl]propan-2-yl]pyrimidine?
The canonical SMILES for 5-[2-[6-(fluoromethyl)-2-pyridinyl]propan-2-yl]pyrimidine is CC(C)(c1cncnc1)c1cccc(CF)n1.
What is the InChIKey of 5-[2-[6-(fluoromethyl)-2-pyridinyl]propan-2-yl]pyrimidine?
The InChIKey is QNFITUMOCURUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3/c1-13(2,10-7-15-9-16-8-10)12-5-3-4-11(6-14)17-12/h3-5,7-9H,6H2,1-2H3.
What are the key properties of 5-[2-[6-(fluoromethyl)-2-pyridinyl]propan-2-yl]pyrimidine?
5-[2-[6-(fluoromethyl)-2-pyridinyl]propan-2-yl]pyrimidine has a molecular weight of 231.27 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[6-(fluoromethyl)-2-pyridinyl]propan-2-yl]pyrimidine is sourced from PubChem (CID 58106995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).