4,6-dichloro-2-(1-ethoxypropyl)-5-phenylpyrimidine

C15H16Cl2N2O — CID 116706347

IUPAC4,6-dichloro-2-(1-ethoxypropyl)-5-phenylpyrimidine
SMILESCCOC(CC)c1nc(Cl)c(-c2ccccc2)c(Cl)n1
InChIInChI=1S/C15H16Cl2N2O/c1-3-11(20-4-2)15-18-13(16)12(14(17)19-15)10-8-6-5-7-9-10/h5-9,11H,3-4H2,1-2H3
InChIKeyFZPUYXNQNHZAPQ-UHFFFAOYSA-N
MW311.21 g/mol
LogP4.94
Rot. Bonds5

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

4,6-dichloro-2-(1-ethoxypropyl)-5-phenylpyrimidine (PubChem CID 116706347) has the molecular formula C15H16Cl2N2O and a molecular weight of 311.21 g/mol. Its IUPAC name is 4,6-dichloro-2-(1-ethoxypropyl)-5-phenylpyrimidine.

Molecular Properties

Compound Name4,6-dichloro-2-(1-ethoxypropyl)-5-phenylpyrimidine
PubChem CID116706347
Molecular FormulaC15H16Cl2N2O
Molecular Weight311.21 g/mol
Exact Mass310.06
IUPAC Name4,6-dichloro-2-(1-ethoxypropyl)-5-phenylpyrimidine
SMILESCCOC(CC)c1nc(Cl)c(-c2ccccc2)c(Cl)n1
InChIInChI=1S/C15H16Cl2N2O/c1-3-11(20-4-2)15-18-13(16)12(14(17)19-15)10-8-6-5-7-9-10/h5-9,11H,3-4H2,1-2H3
InChIKeyFZPUYXNQNHZAPQ-UHFFFAOYSA-N
XLogP4.94
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.21
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-bromophenyl)-4,6-dichloro-2-(1-ethoxypropyl)pyrimidine
CID 116706650
4,6-dichloro-5-(3-fluorophenyl)-2-(1-methoxypropyl)pyrimidine
CID 116706640
2-(1-ethoxypropyl)-5-iodo-N-methyl-6-phenylpyrimidin-4-amine
CID 116729288
2-(1-ethoxypropyl)-4-hydroxy-5-phenyl-1H-pyrimidin-6-one
CID 116705733
4,6-dichloro-2-(1-methylsulfonylethyl)-5-phenylpyrimidine
CID 116633013
4-chloro-2-[ethoxy(phenyl)methyl]-5-iodo-6-methylpyrimidine
CID 116746101
[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine
CID 116701976
2-(1-ethoxybutyl)-6-phenylpyrimidin-4-amine
CID 116728590
2-(1-ethoxypropyl)-4-phenyl-1H-pyrimidin-6-one
CID 136997545
4-chloro-2-(1-ethoxypropyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
CID 106470581
N-[[2-(1-ethoxypropyl)-5-phenyl-1,3-thiazol-4-yl]methyl]ethanamine
CID 116730641
4,6-dichloro-5-(2-chlorophenyl)-2-pentan-3-ylpyrimidine
CID 79439039

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-(1-ethoxypropyl)-5-phenylpyrimidine?
The IUPAC name of 4,6-dichloro-2-(1-ethoxypropyl)-5-phenylpyrimidine (CID 116706347) is 4,6-dichloro-2-(1-ethoxypropyl)-5-phenylpyrimidine.
What is the SMILES notation for 4,6-dichloro-2-(1-ethoxypropyl)-5-phenylpyrimidine?
The canonical SMILES for 4,6-dichloro-2-(1-ethoxypropyl)-5-phenylpyrimidine is CCOC(CC)c1nc(Cl)c(-c2ccccc2)c(Cl)n1.
What is the InChIKey of 4,6-dichloro-2-(1-ethoxypropyl)-5-phenylpyrimidine?
The InChIKey is FZPUYXNQNHZAPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2O/c1-3-11(20-4-2)15-18-13(16)12(14(17)19-15)10-8-6-5-7-9-10/h5-9,11H,3-4H2,1-2H3.
What are the key properties of 4,6-dichloro-2-(1-ethoxypropyl)-5-phenylpyrimidine?
4,6-dichloro-2-(1-ethoxypropyl)-5-phenylpyrimidine has a molecular weight of 311.21 g/mol, XLogP of 4.94, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-(1-ethoxypropyl)-5-phenylpyrimidine is sourced from PubChem (CID 116706347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).