5-bromo-4,6-dichloro-2-(1-methoxycyclohexyl)pyrimidine

C11H13BrCl2N2O — CID 116746046

IUPAC5-bromo-4,6-dichloro-2-(1-methoxycyclohexyl)pyrimidine
SMILESCOC1(c2nc(Cl)c(Br)c(Cl)n2)CCCCC1
InChIInChI=1S/C11H13BrCl2N2O/c1-17-11(5-3-2-4-6-11)10-15-8(13)7(12)9(14)16-10/h2-6H2,1H3
InChIKeyULTDQAYRVNUOLC-UHFFFAOYSA-N
MW340.05 g/mol
LogP4.35
Rot. Bonds2

About 5-bromo-4,6-dichloro-2-(1-methoxycyclohexyl)pyrimidine

5-bromo-4,6-dichloro-2-(1-methoxycyclohexyl)pyrimidine (PubChem CID 116746046) has the molecular formula C11H13BrCl2N2O and a molecular weight of 340.05 g/mol. Its IUPAC name is 5-bromo-4,6-dichloro-2-(1-methoxycyclohexyl)pyrimidine.

Molecular Properties

Compound Name5-bromo-4,6-dichloro-2-(1-methoxycyclohexyl)pyrimidine
PubChem CID116746046
Molecular FormulaC11H13BrCl2N2O
Molecular Weight340.05 g/mol
Exact Mass337.96
IUPAC Name5-bromo-4,6-dichloro-2-(1-methoxycyclohexyl)pyrimidine
SMILESCOC1(c2nc(Cl)c(Br)c(Cl)n2)CCCCC1
InChIInChI=1S/C11H13BrCl2N2O/c1-17-11(5-3-2-4-6-11)10-15-8(13)7(12)9(14)16-10/h2-6H2,1H3
InChIKeyULTDQAYRVNUOLC-UHFFFAOYSA-N
XLogP4.35
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.05
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,6-dichloro-2-(1-methoxycycloheptyl)-5-methylpyrimidine
CID 116745969
4,6-dichloro-5-cyclopentyl-2-(1-methoxycyclohexyl)pyrimidine
CID 116746440
4-chloro-2-(1-methoxycycloheptyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 116745833
5-bromo-2-(1-methoxycyclohexyl)-6-methylpyrimidin-4-amine
CID 116776459
5-bromo-4-chloro-2-(1-methoxy-3-methylcyclohexyl)-6-propan-2-ylpyrimidine
CID 116746223
5-bromo-4-chloro-6-(methoxymethyl)-2-(1-methoxy-3-methylcyclohexyl)pyrimidine
CID 116746257
4-chloro-2-(1-methoxycyclohexyl)-6-propan-2-ylpyrimidine
CID 116745751
5-bromo-2-(1-methoxycyclohexyl)-6-(2-methylpropyl)pyrimidin-4-amine
CID 116777283
4,6-dichloro-2-(4-methoxyoxan-4-yl)-5-methylpyrimidine
CID 116745967
5-bromo-2-(1-methoxycycloheptyl)-6-methyl-N-propylpyrimidin-4-amine
CID 116776525
5-bromo-3-(1-methoxycyclobutyl)-1,2,4-thiadiazole
CID 102618226
4,6-dichloro-5-(3-chlorophenyl)-2-(1-methoxycyclobutyl)pyrimidine
CID 116706634

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4,6-dichloro-2-(1-methoxycyclohexyl)pyrimidine?
The IUPAC name of 5-bromo-4,6-dichloro-2-(1-methoxycyclohexyl)pyrimidine (CID 116746046) is 5-bromo-4,6-dichloro-2-(1-methoxycyclohexyl)pyrimidine.
What is the SMILES notation for 5-bromo-4,6-dichloro-2-(1-methoxycyclohexyl)pyrimidine?
The canonical SMILES for 5-bromo-4,6-dichloro-2-(1-methoxycyclohexyl)pyrimidine is COC1(c2nc(Cl)c(Br)c(Cl)n2)CCCCC1.
What is the InChIKey of 5-bromo-4,6-dichloro-2-(1-methoxycyclohexyl)pyrimidine?
The InChIKey is ULTDQAYRVNUOLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrCl2N2O/c1-17-11(5-3-2-4-6-11)10-15-8(13)7(12)9(14)16-10/h2-6H2,1H3.
What are the key properties of 5-bromo-4,6-dichloro-2-(1-methoxycyclohexyl)pyrimidine?
5-bromo-4,6-dichloro-2-(1-methoxycyclohexyl)pyrimidine has a molecular weight of 340.05 g/mol, XLogP of 4.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4,6-dichloro-2-(1-methoxycyclohexyl)pyrimidine is sourced from PubChem (CID 116746046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).