5-bromo-4-chloro-2-[2-(2,2-difluoroethoxy)ethyl]-6-(methoxymethyl)pyrimidine

C10H12BrClF2N2O2 — CID 103146728

IUPAC5-bromo-4-chloro-2-[2-(2,2-difluoroethoxy)ethyl]-6-(methoxymethyl)pyrimidine
SMILESCOCc1nc(CCOCC(F)F)nc(Cl)c1Br
InChIInChI=1S/C10H12BrClF2N2O2/c1-17-4-6-9(11)10(12)16-8(15-6)2-3-18-5-7(13)14/h7H,2-5H2,1H3
InChIKeyHMWWPMNDNRSANM-UHFFFAOYSA-N
MW345.57 g/mol
LogP2.86
Rot. Bonds7

About 5-bromo-4-chloro-2-[2-(2,2-difluoroethoxy)ethyl]-6-(methoxymethyl)pyrimidine

5-bromo-4-chloro-2-[2-(2,2-difluoroethoxy)ethyl]-6-(methoxymethyl)pyrimidine (PubChem CID 103146728) has the molecular formula C10H12BrClF2N2O2 and a molecular weight of 345.57 g/mol. Its IUPAC name is 5-bromo-4-chloro-2-[2-(2,2-difluoroethoxy)ethyl]-6-(methoxymethyl)pyrimidine.

Molecular Properties

Compound Name5-bromo-4-chloro-2-[2-(2,2-difluoroethoxy)ethyl]-6-(methoxymethyl)pyrimidine
PubChem CID103146728
Molecular FormulaC10H12BrClF2N2O2
Molecular Weight345.57 g/mol
Exact Mass343.97
IUPAC Name5-bromo-4-chloro-2-[2-(2,2-difluoroethoxy)ethyl]-6-(methoxymethyl)pyrimidine
SMILESCOCc1nc(CCOCC(F)F)nc(Cl)c1Br
InChIInChI=1S/C10H12BrClF2N2O2/c1-17-4-6-9(11)10(12)16-8(15-6)2-3-18-5-7(13)14/h7H,2-5H2,1H3
InChIKeyHMWWPMNDNRSANM-UHFFFAOYSA-N
XLogP2.86
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.57
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-2-[2-(2,2-difluoroethoxy)ethyl]-6-(methoxymethyl)pyrimidine?
The IUPAC name of 5-bromo-4-chloro-2-[2-(2,2-difluoroethoxy)ethyl]-6-(methoxymethyl)pyrimidine (CID 103146728) is 5-bromo-4-chloro-2-[2-(2,2-difluoroethoxy)ethyl]-6-(methoxymethyl)pyrimidine.
What is the SMILES notation for 5-bromo-4-chloro-2-[2-(2,2-difluoroethoxy)ethyl]-6-(methoxymethyl)pyrimidine?
The canonical SMILES for 5-bromo-4-chloro-2-[2-(2,2-difluoroethoxy)ethyl]-6-(methoxymethyl)pyrimidine is COCc1nc(CCOCC(F)F)nc(Cl)c1Br.
What is the InChIKey of 5-bromo-4-chloro-2-[2-(2,2-difluoroethoxy)ethyl]-6-(methoxymethyl)pyrimidine?
The InChIKey is HMWWPMNDNRSANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrClF2N2O2/c1-17-4-6-9(11)10(12)16-8(15-6)2-3-18-5-7(13)14/h7H,2-5H2,1H3.
What are the key properties of 5-bromo-4-chloro-2-[2-(2,2-difluoroethoxy)ethyl]-6-(methoxymethyl)pyrimidine?
5-bromo-4-chloro-2-[2-(2,2-difluoroethoxy)ethyl]-6-(methoxymethyl)pyrimidine has a molecular weight of 345.57 g/mol, XLogP of 2.86, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-2-[2-(2,2-difluoroethoxy)ethyl]-6-(methoxymethyl)pyrimidine is sourced from PubChem (CID 103146728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).