4-[(3-fluoro-3-methylpyrrolidin-1-yl)methyl]-2-methoxypyrimidine

C11H16FN3O — CID 169307397

IUPAC4-[(3-fluoro-3-methylpyrrolidin-1-yl)methyl]-2-methoxypyrimidine
SMILESCOc1nccc(CN2CCC(C)(F)C2)n1
InChIInChI=1S/C11H16FN3O/c1-11(12)4-6-15(8-11)7-9-3-5-13-10(14-9)16-2/h3,5H,4,6-8H2,1-2H3
InChIKeyUYTRALYJQHPNET-UHFFFAOYSA-N
MW225.27 g/mol
LogP1.42
Rot. Bonds3

About 4-[(3-fluoro-3-methylpyrrolidin-1-yl)methyl]-2-methoxypyrimidine

4-[(3-fluoro-3-methylpyrrolidin-1-yl)methyl]-2-methoxypyrimidine (PubChem CID 169307397) has the molecular formula C11H16FN3O and a molecular weight of 225.27 g/mol. Its IUPAC name is 4-[(3-fluoro-3-methylpyrrolidin-1-yl)methyl]-2-methoxypyrimidine.

Molecular Properties

Compound Name4-[(3-fluoro-3-methylpyrrolidin-1-yl)methyl]-2-methoxypyrimidine
PubChem CID169307397
Molecular FormulaC11H16FN3O
Molecular Weight225.27 g/mol
Exact Mass225.13
IUPAC Name4-[(3-fluoro-3-methylpyrrolidin-1-yl)methyl]-2-methoxypyrimidine
SMILESCOc1nccc(CN2CCC(C)(F)C2)n1
InChIInChI=1S/C11H16FN3O/c1-11(12)4-6-15(8-11)7-9-3-5-13-10(14-9)16-2/h3,5H,4,6-8H2,1-2H3
InChIKeyUYTRALYJQHPNET-UHFFFAOYSA-N
XLogP1.42
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluoro-3-methylpyrrolidin-1-yl)methyl]-2-methoxypyrimidine?
The IUPAC name of 4-[(3-fluoro-3-methylpyrrolidin-1-yl)methyl]-2-methoxypyrimidine (CID 169307397) is 4-[(3-fluoro-3-methylpyrrolidin-1-yl)methyl]-2-methoxypyrimidine.
What is the SMILES notation for 4-[(3-fluoro-3-methylpyrrolidin-1-yl)methyl]-2-methoxypyrimidine?
The canonical SMILES for 4-[(3-fluoro-3-methylpyrrolidin-1-yl)methyl]-2-methoxypyrimidine is COc1nccc(CN2CCC(C)(F)C2)n1.
What is the InChIKey of 4-[(3-fluoro-3-methylpyrrolidin-1-yl)methyl]-2-methoxypyrimidine?
The InChIKey is UYTRALYJQHPNET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O/c1-11(12)4-6-15(8-11)7-9-3-5-13-10(14-9)16-2/h3,5H,4,6-8H2,1-2H3.
What are the key properties of 4-[(3-fluoro-3-methylpyrrolidin-1-yl)methyl]-2-methoxypyrimidine?
4-[(3-fluoro-3-methylpyrrolidin-1-yl)methyl]-2-methoxypyrimidine has a molecular weight of 225.27 g/mol, XLogP of 1.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluoro-3-methylpyrrolidin-1-yl)methyl]-2-methoxypyrimidine is sourced from PubChem (CID 169307397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).