5-bromo-4-chloro-2-(1-ethoxy-4-methylcyclohexyl)-6-(methoxymethyl)pyrimidine

C15H22BrClN2O2 — CID 116746252

IUPAC5-bromo-4-chloro-2-(1-ethoxy-4-methylcyclohexyl)-6-(methoxymethyl)pyrimidine
SMILESCCOC1(c2nc(Cl)c(Br)c(COC)n2)CCC(C)CC1
InChIInChI=1S/C15H22BrClN2O2/c1-4-21-15(7-5-10(2)6-8-15)14-18-11(9-20-3)12(16)13(17)19-14/h10H,4-9H2,1-3H3
InChIKeyYVOUEFQHACRZFD-UHFFFAOYSA-N
MW377.71 g/mol
LogP4.48
Rot. Bonds5

About 5-bromo-4-chloro-2-(1-ethoxy-4-methylcyclohexyl)-6-(methoxymethyl)pyrimidine

5-bromo-4-chloro-2-(1-ethoxy-4-methylcyclohexyl)-6-(methoxymethyl)pyrimidine (PubChem CID 116746252) has the molecular formula C15H22BrClN2O2 and a molecular weight of 377.71 g/mol. Its IUPAC name is 5-bromo-4-chloro-2-(1-ethoxy-4-methylcyclohexyl)-6-(methoxymethyl)pyrimidine.

Molecular Properties

Compound Name5-bromo-4-chloro-2-(1-ethoxy-4-methylcyclohexyl)-6-(methoxymethyl)pyrimidine
PubChem CID116746252
Molecular FormulaC15H22BrClN2O2
Molecular Weight377.71 g/mol
Exact Mass376.06
IUPAC Name5-bromo-4-chloro-2-(1-ethoxy-4-methylcyclohexyl)-6-(methoxymethyl)pyrimidine
SMILESCCOC1(c2nc(Cl)c(Br)c(COC)n2)CCC(C)CC1
InChIInChI=1S/C15H22BrClN2O2/c1-4-21-15(7-5-10(2)6-8-15)14-18-11(9-20-3)12(16)13(17)19-14/h10H,4-9H2,1-3H3
InChIKeyYVOUEFQHACRZFD-UHFFFAOYSA-N
XLogP4.48
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.71
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-2-(1-ethoxy-4-methylcyclohexyl)-6-(methoxymethyl)pyrimidine?
The IUPAC name of 5-bromo-4-chloro-2-(1-ethoxy-4-methylcyclohexyl)-6-(methoxymethyl)pyrimidine (CID 116746252) is 5-bromo-4-chloro-2-(1-ethoxy-4-methylcyclohexyl)-6-(methoxymethyl)pyrimidine.
What is the SMILES notation for 5-bromo-4-chloro-2-(1-ethoxy-4-methylcyclohexyl)-6-(methoxymethyl)pyrimidine?
The canonical SMILES for 5-bromo-4-chloro-2-(1-ethoxy-4-methylcyclohexyl)-6-(methoxymethyl)pyrimidine is CCOC1(c2nc(Cl)c(Br)c(COC)n2)CCC(C)CC1.
What is the InChIKey of 5-bromo-4-chloro-2-(1-ethoxy-4-methylcyclohexyl)-6-(methoxymethyl)pyrimidine?
The InChIKey is YVOUEFQHACRZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrClN2O2/c1-4-21-15(7-5-10(2)6-8-15)14-18-11(9-20-3)12(16)13(17)19-14/h10H,4-9H2,1-3H3.
What are the key properties of 5-bromo-4-chloro-2-(1-ethoxy-4-methylcyclohexyl)-6-(methoxymethyl)pyrimidine?
5-bromo-4-chloro-2-(1-ethoxy-4-methylcyclohexyl)-6-(methoxymethyl)pyrimidine has a molecular weight of 377.71 g/mol, XLogP of 4.48, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-2-(1-ethoxy-4-methylcyclohexyl)-6-(methoxymethyl)pyrimidine is sourced from PubChem (CID 116746252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).