5-(4-bromophenyl)-4,6-dichloro-2-(2-methylfuran-3-yl)pyrimidine

C15H9BrCl2N2O — CID 104789183

IUPAC5-(4-bromophenyl)-4,6-dichloro-2-(2-methylfuran-3-yl)pyrimidine
SMILESCc1occc1-c1nc(Cl)c(-c2ccc(Br)cc2)c(Cl)n1
InChIInChI=1S/C15H9BrCl2N2O/c1-8-11(6-7-21-8)15-19-13(17)12(14(18)20-15)9-2-4-10(16)5-3-9/h2-7H,1H3
InChIKeyNPFOXWKLNRZFNN-UHFFFAOYSA-N
MW384.06 g/mol
LogP5.78
Rot. Bonds2

About 5-(4-bromophenyl)-4,6-dichloro-2-(2-methylfuran-3-yl)pyrimidine

5-(4-bromophenyl)-4,6-dichloro-2-(2-methylfuran-3-yl)pyrimidine (PubChem CID 104789183) has the molecular formula C15H9BrCl2N2O and a molecular weight of 384.06 g/mol. Its IUPAC name is 5-(4-bromophenyl)-4,6-dichloro-2-(2-methylfuran-3-yl)pyrimidine.

Molecular Properties

Compound Name5-(4-bromophenyl)-4,6-dichloro-2-(2-methylfuran-3-yl)pyrimidine
PubChem CID104789183
Molecular FormulaC15H9BrCl2N2O
Molecular Weight384.06 g/mol
Exact Mass381.93
IUPAC Name5-(4-bromophenyl)-4,6-dichloro-2-(2-methylfuran-3-yl)pyrimidine
SMILESCc1occc1-c1nc(Cl)c(-c2ccc(Br)cc2)c(Cl)n1
InChIInChI=1S/C15H9BrCl2N2O/c1-8-11(6-7-21-8)15-19-13(17)12(14(18)20-15)9-2-4-10(16)5-3-9/h2-7H,1H3
InChIKeyNPFOXWKLNRZFNN-UHFFFAOYSA-N
XLogP5.78
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.06
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-6-ethyl-5-iodo-2-(2-methylfuran-3-yl)pyrimidine
CID 104789169
5-(4-bromophenyl)-4,6-dichloro-N,N-dimethylpyrimidin-2-amine
CID 79438613
5-(4-bromophenyl)-4,6-dichloro-2-(2-methylcyclopropyl)pyrimidine
CID 79437545
4-chloro-2-(2-methylfuran-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 104789145
4-(4-bromophenyl)-3-(2-chlorofuran-3-yl)-1,2-oxazol-5-amine
CID 106687946
2-(4-bromophenyl)-4,6-dichloro-5-methylpyrimidine
CID 63613484
5-chloro-3-(2-methylfuran-3-yl)-1H-1,2,4-triazole
CID 104791073
4-(4-bromophenyl)-5-(2-chlorofuran-3-yl)-1H-pyrazol-3-amine
CID 106687498
5-(4-bromophenyl)-4,6-dichloro-2-(1H-1,2,4-triazol-5-yl)pyrimidine
CID 79437959
5-(4-bromophenyl)-4,6-dichloro-2-(2-methoxypropan-2-yl)pyrimidine
CID 79438216
4-(4-bromophenyl)-5-(2-chlorofuran-3-yl)-1,2-oxazol-3-amine
CID 106690627
2-(4-bromophenyl)-4-chloro-5-fluoro-6-methylpyrimidine
CID 66000623

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-4,6-dichloro-2-(2-methylfuran-3-yl)pyrimidine?
The IUPAC name of 5-(4-bromophenyl)-4,6-dichloro-2-(2-methylfuran-3-yl)pyrimidine (CID 104789183) is 5-(4-bromophenyl)-4,6-dichloro-2-(2-methylfuran-3-yl)pyrimidine.
What is the SMILES notation for 5-(4-bromophenyl)-4,6-dichloro-2-(2-methylfuran-3-yl)pyrimidine?
The canonical SMILES for 5-(4-bromophenyl)-4,6-dichloro-2-(2-methylfuran-3-yl)pyrimidine is Cc1occc1-c1nc(Cl)c(-c2ccc(Br)cc2)c(Cl)n1.
What is the InChIKey of 5-(4-bromophenyl)-4,6-dichloro-2-(2-methylfuran-3-yl)pyrimidine?
The InChIKey is NPFOXWKLNRZFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrCl2N2O/c1-8-11(6-7-21-8)15-19-13(17)12(14(18)20-15)9-2-4-10(16)5-3-9/h2-7H,1H3.
What are the key properties of 5-(4-bromophenyl)-4,6-dichloro-2-(2-methylfuran-3-yl)pyrimidine?
5-(4-bromophenyl)-4,6-dichloro-2-(2-methylfuran-3-yl)pyrimidine has a molecular weight of 384.06 g/mol, XLogP of 5.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-4,6-dichloro-2-(2-methylfuran-3-yl)pyrimidine is sourced from PubChem (CID 104789183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).