5-bromo-4-chloro-2-(1,4-dioxan-2-yl)-6-propan-2-ylpyrimidine

C11H14BrClN2O2 — CID 66292604

IUPAC5-bromo-4-chloro-2-(1,4-dioxan-2-yl)-6-propan-2-ylpyrimidine
SMILESCC(C)c1nc(C2COCCO2)nc(Cl)c1Br
InChIInChI=1S/C11H14BrClN2O2/c1-6(2)9-8(12)10(13)15-11(14-9)7-5-16-3-4-17-7/h6-7H,3-5H2,1-2H3
InChIKeyXSDMEBFYMMWEPI-UHFFFAOYSA-N
MW321.60 g/mol
LogP3.10
Rot. Bonds2

About 5-bromo-4-chloro-2-(1,4-dioxan-2-yl)-6-propan-2-ylpyrimidine

5-bromo-4-chloro-2-(1,4-dioxan-2-yl)-6-propan-2-ylpyrimidine (PubChem CID 66292604) has the molecular formula C11H14BrClN2O2 and a molecular weight of 321.60 g/mol. Its IUPAC name is 5-bromo-4-chloro-2-(1,4-dioxan-2-yl)-6-propan-2-ylpyrimidine.

Molecular Properties

Compound Name5-bromo-4-chloro-2-(1,4-dioxan-2-yl)-6-propan-2-ylpyrimidine
PubChem CID66292604
Molecular FormulaC11H14BrClN2O2
Molecular Weight321.60 g/mol
Exact Mass319.99
IUPAC Name5-bromo-4-chloro-2-(1,4-dioxan-2-yl)-6-propan-2-ylpyrimidine
SMILESCC(C)c1nc(C2COCCO2)nc(Cl)c1Br
InChIInChI=1S/C11H14BrClN2O2/c1-6(2)9-8(12)10(13)15-11(14-9)7-5-16-3-4-17-7/h6-7H,3-5H2,1-2H3
InChIKeyXSDMEBFYMMWEPI-UHFFFAOYSA-N
XLogP3.10
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.60
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-chloro-6-cyclopropyl-2-(1,4-dioxan-2-yl)pyrimidine
CID 66292667
5-bromo-4-chloro-2-cyclooctyl-6-propan-2-ylpyrimidine
CID 80603976
2-(1,4-dioxan-2-yl)-6-methyl-5-propan-2-ylpyrimidin-4-amine
CID 65351633
4-chloro-2-(1,4-dioxan-2-yl)-6-methylthieno[2,3-d]pyrimidine
CID 65353789
6-(1,4-dioxan-2-yl)-1,3,5-triazine-2,4-diamine
CID 112681592
5-bromo-4-chloro-2-methyl-6-propan-2-ylpyrimidine
CID 24903878
5-bromo-6-tert-butyl-2-(1,4-dioxan-2-yl)-N-methylpyrimidin-4-amine
CID 66305819
5-(1-chloroethyl)-2-(1,4-dioxan-2-yl)-4-methylpyrimidine
CID 65352084
5-bromo-2-(1,4-dioxan-2-yl)-N-ethyl-6-propylpyrimidin-4-amine
CID 66306953
5-bromo-6-tert-butyl-2-(1,4-dioxan-2-yl)-N-ethylpyrimidin-4-amine
CID 66306424
4-chloro-2-(1,4-dioxan-2-yl)pyrimidine
CID 65350726
5-bromo-2-(1,4-dioxan-2-yl)-6-phenylpyrimidin-4-amine
CID 66293308

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-2-(1,4-dioxan-2-yl)-6-propan-2-ylpyrimidine?
The IUPAC name of 5-bromo-4-chloro-2-(1,4-dioxan-2-yl)-6-propan-2-ylpyrimidine (CID 66292604) is 5-bromo-4-chloro-2-(1,4-dioxan-2-yl)-6-propan-2-ylpyrimidine.
What is the SMILES notation for 5-bromo-4-chloro-2-(1,4-dioxan-2-yl)-6-propan-2-ylpyrimidine?
The canonical SMILES for 5-bromo-4-chloro-2-(1,4-dioxan-2-yl)-6-propan-2-ylpyrimidine is CC(C)c1nc(C2COCCO2)nc(Cl)c1Br.
What is the InChIKey of 5-bromo-4-chloro-2-(1,4-dioxan-2-yl)-6-propan-2-ylpyrimidine?
The InChIKey is XSDMEBFYMMWEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrClN2O2/c1-6(2)9-8(12)10(13)15-11(14-9)7-5-16-3-4-17-7/h6-7H,3-5H2,1-2H3.
What are the key properties of 5-bromo-4-chloro-2-(1,4-dioxan-2-yl)-6-propan-2-ylpyrimidine?
5-bromo-4-chloro-2-(1,4-dioxan-2-yl)-6-propan-2-ylpyrimidine has a molecular weight of 321.60 g/mol, XLogP of 3.10, 2 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-(1,4-dioxan-2-yl)-6-propan-2-ylpyrimidine is sourced from PubChem (CID 66292604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).