2-(3-bromofuran-2-yl)-4-chloro-5-fluoro-6-methylpyrimidine

C9H5BrClFN2O — CID 106886172

IUPAC2-(3-bromofuran-2-yl)-4-chloro-5-fluoro-6-methylpyrimidine
SMILESCc1nc(-c2occc2Br)nc(Cl)c1F
InChIInChI=1S/C9H5BrClFN2O/c1-4-6(12)8(11)14-9(13-4)7-5(10)2-3-15-7/h2-3H,1H3
InChIKeyUDQWYOKKOZAVDY-UHFFFAOYSA-N
MW291.51 g/mol
LogP3.60
Rot. Bonds1

About 2-(3-bromofuran-2-yl)-4-chloro-5-fluoro-6-methylpyrimidine

2-(3-bromofuran-2-yl)-4-chloro-5-fluoro-6-methylpyrimidine (PubChem CID 106886172) has the molecular formula C9H5BrClFN2O and a molecular weight of 291.51 g/mol. Its IUPAC name is 2-(3-bromofuran-2-yl)-4-chloro-5-fluoro-6-methylpyrimidine.

Molecular Properties

Compound Name2-(3-bromofuran-2-yl)-4-chloro-5-fluoro-6-methylpyrimidine
PubChem CID106886172
Molecular FormulaC9H5BrClFN2O
Molecular Weight291.51 g/mol
Exact Mass289.93
IUPAC Name2-(3-bromofuran-2-yl)-4-chloro-5-fluoro-6-methylpyrimidine
SMILESCc1nc(-c2occc2Br)nc(Cl)c1F
InChIInChI=1S/C9H5BrClFN2O/c1-4-6(12)8(11)14-9(13-4)7-5(10)2-3-15-7/h2-3H,1H3
InChIKeyUDQWYOKKOZAVDY-UHFFFAOYSA-N
XLogP3.60
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.51
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromophenyl)-4-chloro-5-fluoro-6-methylpyrimidine
CID 66000623
2-(2-bromo-5-chlorophenyl)-4-chloro-5-fluoro-6-methylpyrimidine
CID 66160468
2-(3-bromofuran-2-yl)-4-chloro-5-iodo-6-(methoxymethyl)pyrimidine
CID 106886187
3-bromo-2-(3-bromofuran-2-yl)furan
CID 626140
2-(3-bromofuran-2-yl)-4-chloro-6-(1-methylpyrazol-4-yl)pyrimidine
CID 106886214
4,6-dichloro-5-fluoro-2-(4-methylphenyl)pyrimidine
CID 80550164
2-(3-bromofuran-2-yl)-N,6-diethylpyrimidin-4-amine
CID 106889189
6-(3-bromofuran-2-yl)-3,5-dichloropyridin-2-amine
CID 102753401
2-(5-bromofuran-2-yl)-4,6-dichloro-5-fluoropyrimidine
CID 80550973
4-(3-bromofuran-2-yl)-2-chloro-6-(trifluoromethyl)pyrimidine
CID 114563099
5-bromo-2-(3-bromofuran-2-yl)-6-phenylpyrimidin-4-amine
CID 106889232
2-(3-bromofuran-2-yl)-6-cyclopropyl-N-methylpyrimidin-4-amine
CID 106889224

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromofuran-2-yl)-4-chloro-5-fluoro-6-methylpyrimidine?
The IUPAC name of 2-(3-bromofuran-2-yl)-4-chloro-5-fluoro-6-methylpyrimidine (CID 106886172) is 2-(3-bromofuran-2-yl)-4-chloro-5-fluoro-6-methylpyrimidine.
What is the SMILES notation for 2-(3-bromofuran-2-yl)-4-chloro-5-fluoro-6-methylpyrimidine?
The canonical SMILES for 2-(3-bromofuran-2-yl)-4-chloro-5-fluoro-6-methylpyrimidine is Cc1nc(-c2occc2Br)nc(Cl)c1F.
What is the InChIKey of 2-(3-bromofuran-2-yl)-4-chloro-5-fluoro-6-methylpyrimidine?
The InChIKey is UDQWYOKKOZAVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrClFN2O/c1-4-6(12)8(11)14-9(13-4)7-5(10)2-3-15-7/h2-3H,1H3.
What are the key properties of 2-(3-bromofuran-2-yl)-4-chloro-5-fluoro-6-methylpyrimidine?
2-(3-bromofuran-2-yl)-4-chloro-5-fluoro-6-methylpyrimidine has a molecular weight of 291.51 g/mol, XLogP of 3.60, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromofuran-2-yl)-4-chloro-5-fluoro-6-methylpyrimidine is sourced from PubChem (CID 106886172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).