4-ethyl-5-fluoro-6-[3-(fluoromethyl)azetidin-1-yl]pyrimidine

C10H13F2N3 — CID 119103556

IUPAC4-ethyl-5-fluoro-6-[3-(fluoromethyl)azetidin-1-yl]pyrimidine
SMILESCCc1ncnc(N2CC(CF)C2)c1F
InChIInChI=1S/C10H13F2N3/c1-2-8-9(12)10(14-6-13-8)15-4-7(3-11)5-15/h6-7H,2-5H2,1H3
InChIKeyLTNFQWCUKUUYHZ-UHFFFAOYSA-N
MW213.23 g/mol
LogP1.58
Rot. Bonds3

About 4-ethyl-5-fluoro-6-[3-(fluoromethyl)azetidin-1-yl]pyrimidine

4-ethyl-5-fluoro-6-[3-(fluoromethyl)azetidin-1-yl]pyrimidine (PubChem CID 119103556) has the molecular formula C10H13F2N3 and a molecular weight of 213.23 g/mol. Its IUPAC name is 4-ethyl-5-fluoro-6-[3-(fluoromethyl)azetidin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-ethyl-5-fluoro-6-[3-(fluoromethyl)azetidin-1-yl]pyrimidine
PubChem CID119103556
Molecular FormulaC10H13F2N3
Molecular Weight213.23 g/mol
Exact Mass213.11
IUPAC Name4-ethyl-5-fluoro-6-[3-(fluoromethyl)azetidin-1-yl]pyrimidine
SMILESCCc1ncnc(N2CC(CF)C2)c1F
InChIInChI=1S/C10H13F2N3/c1-2-8-9(12)10(14-6-13-8)15-4-7(3-11)5-15/h6-7H,2-5H2,1H3
InChIKeyLTNFQWCUKUUYHZ-UHFFFAOYSA-N
XLogP1.58
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-fluoro-6-[3-(fluoromethyl)azetidin-1-yl]pyrimidine?
The IUPAC name of 4-ethyl-5-fluoro-6-[3-(fluoromethyl)azetidin-1-yl]pyrimidine (CID 119103556) is 4-ethyl-5-fluoro-6-[3-(fluoromethyl)azetidin-1-yl]pyrimidine.
What is the SMILES notation for 4-ethyl-5-fluoro-6-[3-(fluoromethyl)azetidin-1-yl]pyrimidine?
The canonical SMILES for 4-ethyl-5-fluoro-6-[3-(fluoromethyl)azetidin-1-yl]pyrimidine is CCc1ncnc(N2CC(CF)C2)c1F.
What is the InChIKey of 4-ethyl-5-fluoro-6-[3-(fluoromethyl)azetidin-1-yl]pyrimidine?
The InChIKey is LTNFQWCUKUUYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2N3/c1-2-8-9(12)10(14-6-13-8)15-4-7(3-11)5-15/h6-7H,2-5H2,1H3.
What are the key properties of 4-ethyl-5-fluoro-6-[3-(fluoromethyl)azetidin-1-yl]pyrimidine?
4-ethyl-5-fluoro-6-[3-(fluoromethyl)azetidin-1-yl]pyrimidine has a molecular weight of 213.23 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-fluoro-6-[3-(fluoromethyl)azetidin-1-yl]pyrimidine is sourced from PubChem (CID 119103556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).