2-(5-bromofuran-2-yl)-4-chloro-5-methyl-6-phenylpyrimidine

C15H10BrClN2O — CID 104845875

IUPAC2-(5-bromofuran-2-yl)-4-chloro-5-methyl-6-phenylpyrimidine
SMILESCc1c(Cl)nc(-c2ccc(Br)o2)nc1-c1ccccc1
InChIInChI=1S/C15H10BrClN2O/c1-9-13(10-5-3-2-4-6-10)18-15(19-14(9)17)11-7-8-12(16)20-11/h2-8H,1H3
InChIKeyNXSGHXMCPXPXNW-UHFFFAOYSA-N
MW349.62 g/mol
LogP5.13
Rot. Bonds2

About 2-(5-bromofuran-2-yl)-4-chloro-5-methyl-6-phenylpyrimidine

2-(5-bromofuran-2-yl)-4-chloro-5-methyl-6-phenylpyrimidine (PubChem CID 104845875) has the molecular formula C15H10BrClN2O and a molecular weight of 349.62 g/mol. Its IUPAC name is 2-(5-bromofuran-2-yl)-4-chloro-5-methyl-6-phenylpyrimidine.

Molecular Properties

Compound Name2-(5-bromofuran-2-yl)-4-chloro-5-methyl-6-phenylpyrimidine
PubChem CID104845875
Molecular FormulaC15H10BrClN2O
Molecular Weight349.62 g/mol
Exact Mass347.97
IUPAC Name2-(5-bromofuran-2-yl)-4-chloro-5-methyl-6-phenylpyrimidine
SMILESCc1c(Cl)nc(-c2ccc(Br)o2)nc1-c1ccccc1
InChIInChI=1S/C15H10BrClN2O/c1-9-13(10-5-3-2-4-6-10)18-15(19-14(9)17)11-7-8-12(16)20-11/h2-8H,1H3
InChIKeyNXSGHXMCPXPXNW-UHFFFAOYSA-N
XLogP5.13
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.62
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-5-methyl-2-(5-methylfuran-2-yl)-6-phenylpyrimidine
CID 104845868
2-(3-bromophenyl)-4-chloro-5-methyl-6-phenylpyrimidine
CID 104845834
4-chloro-5-methyl-2-(2-methylphenyl)-6-phenylpyrimidine
CID 104845832
5-bromo-2-(5-methylfuran-2-yl)-6-phenylpyrimidin-4-amine
CID 66302594
2-(4-bromo-5-methylthiophen-2-yl)-4-chloro-5-methyl-6-phenylpyrimidine
CID 102842775
4-chloro-5-methyl-6-phenyl-2-pyridin-3-ylpyrimidine
CID 104845792
5-bromo-4,6-dichloro-2-(5-methylfuran-2-yl)pyrimidine
CID 66313382
5-bromo-4-chloro-2-(2-methylpyrazol-3-yl)-6-phenylpyrimidine
CID 114553979
5-chloro-6-methyl-3-phenyl-1,4-oxazin-2-one
CID 11401775
4-chloro-2-(1-methoxy-2,2-dimethylpropyl)-5-methyl-6-phenylpyrimidine
CID 116706757
2-(5-bromofuran-2-yl)-4-chloro-6-propan-2-ylpyrimidine
CID 43557769
4,6-dichloro-2-(4,5-dibromofuran-2-yl)-5-phenylpyrimidine
CID 65430083

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromofuran-2-yl)-4-chloro-5-methyl-6-phenylpyrimidine?
The IUPAC name of 2-(5-bromofuran-2-yl)-4-chloro-5-methyl-6-phenylpyrimidine (CID 104845875) is 2-(5-bromofuran-2-yl)-4-chloro-5-methyl-6-phenylpyrimidine.
What is the SMILES notation for 2-(5-bromofuran-2-yl)-4-chloro-5-methyl-6-phenylpyrimidine?
The canonical SMILES for 2-(5-bromofuran-2-yl)-4-chloro-5-methyl-6-phenylpyrimidine is Cc1c(Cl)nc(-c2ccc(Br)o2)nc1-c1ccccc1.
What is the InChIKey of 2-(5-bromofuran-2-yl)-4-chloro-5-methyl-6-phenylpyrimidine?
The InChIKey is NXSGHXMCPXPXNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrClN2O/c1-9-13(10-5-3-2-4-6-10)18-15(19-14(9)17)11-7-8-12(16)20-11/h2-8H,1H3.
What are the key properties of 2-(5-bromofuran-2-yl)-4-chloro-5-methyl-6-phenylpyrimidine?
2-(5-bromofuran-2-yl)-4-chloro-5-methyl-6-phenylpyrimidine has a molecular weight of 349.62 g/mol, XLogP of 5.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromofuran-2-yl)-4-chloro-5-methyl-6-phenylpyrimidine is sourced from PubChem (CID 104845875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).