2-[3-(fluoromethyl)pyrrolidin-1-yl]-4-methoxypyrimidine

C10H14FN3O — CID 171326403

IUPAC2-[3-(fluoromethyl)pyrrolidin-1-yl]-4-methoxypyrimidine
SMILESCOc1ccnc(N2CCC(CF)C2)n1
InChIInChI=1S/C10H14FN3O/c1-15-9-2-4-12-10(13-9)14-5-3-8(6-11)7-14/h2,4,8H,3,5-7H2,1H3
InChIKeyYCCYBRAFLJJZJX-UHFFFAOYSA-N
MW211.24 g/mol
LogP1.28
Rot. Bonds3

About 2-[3-(fluoromethyl)pyrrolidin-1-yl]-4-methoxypyrimidine

2-[3-(fluoromethyl)pyrrolidin-1-yl]-4-methoxypyrimidine (PubChem CID 171326403) has the molecular formula C10H14FN3O and a molecular weight of 211.24 g/mol. Its IUPAC name is 2-[3-(fluoromethyl)pyrrolidin-1-yl]-4-methoxypyrimidine.

Molecular Properties

Compound Name2-[3-(fluoromethyl)pyrrolidin-1-yl]-4-methoxypyrimidine
PubChem CID171326403
Molecular FormulaC10H14FN3O
Molecular Weight211.24 g/mol
Exact Mass211.11
IUPAC Name2-[3-(fluoromethyl)pyrrolidin-1-yl]-4-methoxypyrimidine
SMILESCOc1ccnc(N2CCC(CF)C2)n1
InChIInChI=1S/C10H14FN3O/c1-15-9-2-4-12-10(13-9)14-5-3-8(6-11)7-14/h2,4,8H,3,5-7H2,1H3
InChIKeyYCCYBRAFLJJZJX-UHFFFAOYSA-N
XLogP1.28
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(fluoromethyl)pyrrolidin-1-yl]-4-methoxypyrimidine?
The IUPAC name of 2-[3-(fluoromethyl)pyrrolidin-1-yl]-4-methoxypyrimidine (CID 171326403) is 2-[3-(fluoromethyl)pyrrolidin-1-yl]-4-methoxypyrimidine.
What is the SMILES notation for 2-[3-(fluoromethyl)pyrrolidin-1-yl]-4-methoxypyrimidine?
The canonical SMILES for 2-[3-(fluoromethyl)pyrrolidin-1-yl]-4-methoxypyrimidine is COc1ccnc(N2CCC(CF)C2)n1.
What is the InChIKey of 2-[3-(fluoromethyl)pyrrolidin-1-yl]-4-methoxypyrimidine?
The InChIKey is YCCYBRAFLJJZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3O/c1-15-9-2-4-12-10(13-9)14-5-3-8(6-11)7-14/h2,4,8H,3,5-7H2,1H3.
What are the key properties of 2-[3-(fluoromethyl)pyrrolidin-1-yl]-4-methoxypyrimidine?
2-[3-(fluoromethyl)pyrrolidin-1-yl]-4-methoxypyrimidine has a molecular weight of 211.24 g/mol, XLogP of 1.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(fluoromethyl)pyrrolidin-1-yl]-4-methoxypyrimidine is sourced from PubChem (CID 171326403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).