2,4-dichloro-5-fluoro-6-(3-methoxy-3-methylazetidin-1-yl)pyrimidine

C9H10Cl2FN3O — CID 154763505

IUPAC2,4-dichloro-5-fluoro-6-(3-methoxy-3-methylazetidin-1-yl)pyrimidine
SMILESCOC1(C)CN(c2nc(Cl)nc(Cl)c2F)C1
InChIInChI=1S/C9H10Cl2FN3O/c1-9(16-2)3-15(4-9)7-5(12)6(10)13-8(11)14-7/h3-4H2,1-2H3
InChIKeyFINOHAIYIRPNMX-UHFFFAOYSA-N
MW266.10 g/mol
LogP2.15
Rot. Bonds2

About 2,4-dichloro-5-fluoro-6-(3-methoxy-3-methylazetidin-1-yl)pyrimidine

2,4-dichloro-5-fluoro-6-(3-methoxy-3-methylazetidin-1-yl)pyrimidine (PubChem CID 154763505) has the molecular formula C9H10Cl2FN3O and a molecular weight of 266.10 g/mol. Its IUPAC name is 2,4-dichloro-5-fluoro-6-(3-methoxy-3-methylazetidin-1-yl)pyrimidine.

Molecular Properties

Compound Name2,4-dichloro-5-fluoro-6-(3-methoxy-3-methylazetidin-1-yl)pyrimidine
PubChem CID154763505
Molecular FormulaC9H10Cl2FN3O
Molecular Weight266.10 g/mol
Exact Mass265.02
IUPAC Name2,4-dichloro-5-fluoro-6-(3-methoxy-3-methylazetidin-1-yl)pyrimidine
SMILESCOC1(C)CN(c2nc(Cl)nc(Cl)c2F)C1
InChIInChI=1S/C9H10Cl2FN3O/c1-9(16-2)3-15(4-9)7-5(12)6(10)13-8(11)14-7/h3-4H2,1-2H3
InChIKeyFINOHAIYIRPNMX-UHFFFAOYSA-N
XLogP2.15
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.10
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-fluoro-6-(3-methoxy-3-methylazetidin-1-yl)pyrimidine?
The IUPAC name of 2,4-dichloro-5-fluoro-6-(3-methoxy-3-methylazetidin-1-yl)pyrimidine (CID 154763505) is 2,4-dichloro-5-fluoro-6-(3-methoxy-3-methylazetidin-1-yl)pyrimidine.
What is the SMILES notation for 2,4-dichloro-5-fluoro-6-(3-methoxy-3-methylazetidin-1-yl)pyrimidine?
The canonical SMILES for 2,4-dichloro-5-fluoro-6-(3-methoxy-3-methylazetidin-1-yl)pyrimidine is COC1(C)CN(c2nc(Cl)nc(Cl)c2F)C1.
What is the InChIKey of 2,4-dichloro-5-fluoro-6-(3-methoxy-3-methylazetidin-1-yl)pyrimidine?
The InChIKey is FINOHAIYIRPNMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2FN3O/c1-9(16-2)3-15(4-9)7-5(12)6(10)13-8(11)14-7/h3-4H2,1-2H3.
What are the key properties of 2,4-dichloro-5-fluoro-6-(3-methoxy-3-methylazetidin-1-yl)pyrimidine?
2,4-dichloro-5-fluoro-6-(3-methoxy-3-methylazetidin-1-yl)pyrimidine has a molecular weight of 266.10 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-fluoro-6-(3-methoxy-3-methylazetidin-1-yl)pyrimidine is sourced from PubChem (CID 154763505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).