5-bromo-4-chloro-2-(3,5-difluorophenyl)-6-(methoxymethyl)pyrimidine

C12H8BrClF2N2O — CID 66292626

IUPAC5-bromo-4-chloro-2-(3,5-difluorophenyl)-6-(methoxymethyl)pyrimidine
SMILESCOCc1nc(-c2cc(F)cc(F)c2)nc(Cl)c1Br
InChIInChI=1S/C12H8BrClF2N2O/c1-19-5-9-10(13)11(14)18-12(17-9)6-2-7(15)4-8(16)3-6/h2-4H,5H2,1H3
InChIKeyMTQQVLJDKIPYRK-UHFFFAOYSA-N
MW349.56 g/mol
LogP3.98
Rot. Bonds3

About 5-bromo-4-chloro-2-(3,5-difluorophenyl)-6-(methoxymethyl)pyrimidine

5-bromo-4-chloro-2-(3,5-difluorophenyl)-6-(methoxymethyl)pyrimidine (PubChem CID 66292626) has the molecular formula C12H8BrClF2N2O and a molecular weight of 349.56 g/mol. Its IUPAC name is 5-bromo-4-chloro-2-(3,5-difluorophenyl)-6-(methoxymethyl)pyrimidine.

Molecular Properties

Compound Name5-bromo-4-chloro-2-(3,5-difluorophenyl)-6-(methoxymethyl)pyrimidine
PubChem CID66292626
Molecular FormulaC12H8BrClF2N2O
Molecular Weight349.56 g/mol
Exact Mass347.95
IUPAC Name5-bromo-4-chloro-2-(3,5-difluorophenyl)-6-(methoxymethyl)pyrimidine
SMILESCOCc1nc(-c2cc(F)cc(F)c2)nc(Cl)c1Br
InChIInChI=1S/C12H8BrClF2N2O/c1-19-5-9-10(13)11(14)18-12(17-9)6-2-7(15)4-8(16)3-6/h2-4H,5H2,1H3
InChIKeyMTQQVLJDKIPYRK-UHFFFAOYSA-N
XLogP3.98
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.56
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Chloro-6-(methoxymethyl)-2-phenylpyrimidine
CID 2763927
4-Chloro-6-(1-ethoxyethenyl)-5-fluoro-2-phenylpyrimidine
CID 138971010
2-(5-Chloro-2-fluorophenyl)-4-iodo-5,7-dihydrofuro[3,4-d]pyrimidine
CID 21104307
4-Chloro-2-(5-chloro-2-fluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidine
CID 21104338
5-Chloromethyl-4-methoxymethyl-6-methyl-2-(3-trifluoromethyl-phenyl)-pyrimidine
CID 21935634
5-Chloromethyl-4-methoxymethyl-6-methyl-2-(4-trifluoromethyl-phenyl)-pyrimidine
CID 21935757
4-Chloro-2-(4-fluorophenyl)-6-(methoxymethyl)pyrimidine
CID 55062550
[6-Chloro-2-(4-fluorophenyl)pyrimidin-4-yl]methanol
CID 57431699
2-(5-Chloro-2-fluorophenyl)-4-methyl-5,7-dihydrofuro[3,4-d]pyrimidine
CID 58916290
4-Chloro-2-(4-chloro-2,5-difluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidine
CID 59686249
6-Amino-5-bromo-2-(4-chloro-2-fluorophenyl)pyrimidine-4-carboxylic acid methyl ester
CID 67210714
4-Chloro-6-(phenylmethoxy-methyl)-2-[4-(trifluoromethyl)-phenyl]-pyrimidine
CID 117822074

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-2-(3,5-difluorophenyl)-6-(methoxymethyl)pyrimidine?
The IUPAC name of 5-bromo-4-chloro-2-(3,5-difluorophenyl)-6-(methoxymethyl)pyrimidine (CID 66292626) is 5-bromo-4-chloro-2-(3,5-difluorophenyl)-6-(methoxymethyl)pyrimidine.
What is the SMILES notation for 5-bromo-4-chloro-2-(3,5-difluorophenyl)-6-(methoxymethyl)pyrimidine?
The canonical SMILES for 5-bromo-4-chloro-2-(3,5-difluorophenyl)-6-(methoxymethyl)pyrimidine is COCc1nc(-c2cc(F)cc(F)c2)nc(Cl)c1Br.
What is the InChIKey of 5-bromo-4-chloro-2-(3,5-difluorophenyl)-6-(methoxymethyl)pyrimidine?
The InChIKey is MTQQVLJDKIPYRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrClF2N2O/c1-19-5-9-10(13)11(14)18-12(17-9)6-2-7(15)4-8(16)3-6/h2-4H,5H2,1H3.
What are the key properties of 5-bromo-4-chloro-2-(3,5-difluorophenyl)-6-(methoxymethyl)pyrimidine?
5-bromo-4-chloro-2-(3,5-difluorophenyl)-6-(methoxymethyl)pyrimidine has a molecular weight of 349.56 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-2-(3,5-difluorophenyl)-6-(methoxymethyl)pyrimidine is sourced from PubChem (CID 66292626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).