2,4-dichloro-5-(3-fluorooxetan-3-yl)pyrimidine

C7H5Cl2FN2O — CID 169118936

IUPAC2,4-dichloro-5-(3-fluorooxetan-3-yl)pyrimidine
SMILESFC1(c2cnc(Cl)nc2Cl)COC1
InChIInChI=1S/C7H5Cl2FN2O/c8-5-4(1-11-6(9)12-5)7(10)2-13-3-7/h1H,2-3H2
InChIKeyXCHFLGMJFGDVET-UHFFFAOYSA-N
MW223.03 g/mol
LogP1.98
Rot. Bonds1

About 2,4-dichloro-5-(3-fluorooxetan-3-yl)pyrimidine

2,4-dichloro-5-(3-fluorooxetan-3-yl)pyrimidine (PubChem CID 169118936) has the molecular formula C7H5Cl2FN2O and a molecular weight of 223.03 g/mol. Its IUPAC name is 2,4-dichloro-5-(3-fluorooxetan-3-yl)pyrimidine.

Molecular Properties

Compound Name2,4-dichloro-5-(3-fluorooxetan-3-yl)pyrimidine
PubChem CID169118936
Molecular FormulaC7H5Cl2FN2O
Molecular Weight223.03 g/mol
Exact Mass221.98
IUPAC Name2,4-dichloro-5-(3-fluorooxetan-3-yl)pyrimidine
SMILESFC1(c2cnc(Cl)nc2Cl)COC1
InChIInChI=1S/C7H5Cl2FN2O/c8-5-4(1-11-6(9)12-5)7(10)2-13-3-7/h1H,2-3H2
InChIKeyXCHFLGMJFGDVET-UHFFFAOYSA-N
XLogP1.98
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.03
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-Dichloropyrimidin-5-yl)ethyl acetate
CID 57396089
2-(2,4-Dichloropyrimidin-5-yl)ethanol
CID 57399552
2,4-Dichloro-5-(2-fluoropropan-2-yl)pyrimidine
CID 123537576
2,4-Dichloro-5-(1,1-difluoroethyl)pyrimidine
CID 133612124
2-Chloro-5-(3-fluorooxetan-3-yl)pyrimidin-4-amine
CID 169119235
[2-(4-Chloropyrimidin-5-yl)-3,3,3-trifluoropropyl] formate
CID 174841981
2-(2-Chloropyrimidin-5-yl)-1,2,2-trifluoroethanol
CID 175520154
2-Fluoro-5-(oxetan-3-yl)pyrimidine
CID 178990216
2,4-Dichloro-5-(2-fluoroethyl)pyrimidine
CID 83854274
Ethyl 2-(2,4-dichloropyrimidin-5-yl)-2,2-difluoroacetate
CID 163409906
2-(2-Chloropyrimidin-5-YL)-2,2-difluoroethan-1-OL
CID 176451459
2,4-Dichloro-5-(2,2-diethoxyethyl)pyrimidine
CID 15405058

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-(3-fluorooxetan-3-yl)pyrimidine?
The IUPAC name of 2,4-dichloro-5-(3-fluorooxetan-3-yl)pyrimidine (CID 169118936) is 2,4-dichloro-5-(3-fluorooxetan-3-yl)pyrimidine.
What is the SMILES notation for 2,4-dichloro-5-(3-fluorooxetan-3-yl)pyrimidine?
The canonical SMILES for 2,4-dichloro-5-(3-fluorooxetan-3-yl)pyrimidine is FC1(c2cnc(Cl)nc2Cl)COC1.
What is the InChIKey of 2,4-dichloro-5-(3-fluorooxetan-3-yl)pyrimidine?
The InChIKey is XCHFLGMJFGDVET-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl2FN2O/c8-5-4(1-11-6(9)12-5)7(10)2-13-3-7/h1H,2-3H2.
What are the key properties of 2,4-dichloro-5-(3-fluorooxetan-3-yl)pyrimidine?
2,4-dichloro-5-(3-fluorooxetan-3-yl)pyrimidine has a molecular weight of 223.03 g/mol, XLogP of 1.98, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-(3-fluorooxetan-3-yl)pyrimidine is sourced from PubChem (CID 169118936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).