5-(2-bromophenyl)-4,6-dichloro-2-(1-ethoxypropyl)pyrimidine

C15H15BrCl2N2O — CID 116706650

IUPAC5-(2-bromophenyl)-4,6-dichloro-2-(1-ethoxypropyl)pyrimidine
SMILESCCOC(CC)c1nc(Cl)c(-c2ccccc2Br)c(Cl)n1
InChIInChI=1S/C15H15BrCl2N2O/c1-3-11(21-4-2)15-19-13(17)12(14(18)20-15)9-7-5-6-8-10(9)16/h5-8,11H,3-4H2,1-2H3
InChIKeyHNVPJDUVXGXCKO-UHFFFAOYSA-N
MW390.11 g/mol
LogP5.70
Rot. Bonds5

About 5-(2-bromophenyl)-4,6-dichloro-2-(1-ethoxypropyl)pyrimidine

5-(2-bromophenyl)-4,6-dichloro-2-(1-ethoxypropyl)pyrimidine (PubChem CID 116706650) has the molecular formula C15H15BrCl2N2O and a molecular weight of 390.11 g/mol. Its IUPAC name is 5-(2-bromophenyl)-4,6-dichloro-2-(1-ethoxypropyl)pyrimidine.

Molecular Properties

Compound Name5-(2-bromophenyl)-4,6-dichloro-2-(1-ethoxypropyl)pyrimidine
PubChem CID116706650
Molecular FormulaC15H15BrCl2N2O
Molecular Weight390.11 g/mol
Exact Mass387.97
IUPAC Name5-(2-bromophenyl)-4,6-dichloro-2-(1-ethoxypropyl)pyrimidine
SMILESCCOC(CC)c1nc(Cl)c(-c2ccccc2Br)c(Cl)n1
InChIInChI=1S/C15H15BrCl2N2O/c1-3-11(21-4-2)15-19-13(17)12(14(18)20-15)9-7-5-6-8-10(9)16/h5-8,11H,3-4H2,1-2H3
InChIKeyHNVPJDUVXGXCKO-UHFFFAOYSA-N
XLogP5.70
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.11
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,6-dichloro-2-(1-ethoxypropyl)-5-phenylpyrimidine
CID 116706347
5-(2-bromophenyl)-4,6-dichloro-2-(2-ethoxyethyl)pyrimidine
CID 106815034
5-(2-bromophenyl)-4,6-dichloro-2-(2-methylpropyl)pyrimidine
CID 79438939
4-(2-bromophenyl)-2-(1-ethoxypropyl)-1,3-thiazole
CID 116734447
1-[5-(2-bromophenyl)-4,6-dichloropyrimidin-2-yl]-N,N-dimethylmethanamine
CID 79439579
4,6-dichloro-5-(2-chlorophenyl)-2-pentan-3-ylpyrimidine
CID 79439039
5-(2-bromophenyl)-4,6-dichloro-2-phenylpyrimidine
CID 79435454
4,6-dichloro-5-(3-fluorophenyl)-2-(1-methoxypropyl)pyrimidine
CID 116706640
2-(2-bromophenyl)-4-chloro-6-ethyl-5-methylpyrimidine
CID 63549132
5-(2-bromophenyl)-4,6-dichloro-2-(thiophen-2-ylmethyl)pyrimidine
CID 79435670
4-(1-ethoxypropyl)-6-propan-2-yl-1,3,5-triazin-2-amine
CID 116734056
5-bromo-2-(1-ethoxypropyl)-6-methylpyrimidin-4-amine
CID 116729296

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromophenyl)-4,6-dichloro-2-(1-ethoxypropyl)pyrimidine?
The IUPAC name of 5-(2-bromophenyl)-4,6-dichloro-2-(1-ethoxypropyl)pyrimidine (CID 116706650) is 5-(2-bromophenyl)-4,6-dichloro-2-(1-ethoxypropyl)pyrimidine.
What is the SMILES notation for 5-(2-bromophenyl)-4,6-dichloro-2-(1-ethoxypropyl)pyrimidine?
The canonical SMILES for 5-(2-bromophenyl)-4,6-dichloro-2-(1-ethoxypropyl)pyrimidine is CCOC(CC)c1nc(Cl)c(-c2ccccc2Br)c(Cl)n1.
What is the InChIKey of 5-(2-bromophenyl)-4,6-dichloro-2-(1-ethoxypropyl)pyrimidine?
The InChIKey is HNVPJDUVXGXCKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrCl2N2O/c1-3-11(21-4-2)15-19-13(17)12(14(18)20-15)9-7-5-6-8-10(9)16/h5-8,11H,3-4H2,1-2H3.
What are the key properties of 5-(2-bromophenyl)-4,6-dichloro-2-(1-ethoxypropyl)pyrimidine?
5-(2-bromophenyl)-4,6-dichloro-2-(1-ethoxypropyl)pyrimidine has a molecular weight of 390.11 g/mol, XLogP of 5.70, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromophenyl)-4,6-dichloro-2-(1-ethoxypropyl)pyrimidine is sourced from PubChem (CID 116706650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).