5-bromo-4-chloro-6-cyclopropyl-2-(1,4-dioxan-2-yl)pyrimidine

C11H12BrClN2O2 — CID 66292667

IUPAC5-bromo-4-chloro-6-cyclopropyl-2-(1,4-dioxan-2-yl)pyrimidine
SMILESClc1nc(C2COCCO2)nc(C2CC2)c1Br
InChIInChI=1S/C11H12BrClN2O2/c12-8-9(6-1-2-6)14-11(15-10(8)13)7-5-16-3-4-17-7/h6-7H,1-5H2
InChIKeyMASUFVSMPHWTJW-UHFFFAOYSA-N
MW319.59 g/mol
LogP2.86
Rot. Bonds2

About 5-bromo-4-chloro-6-cyclopropyl-2-(1,4-dioxan-2-yl)pyrimidine

5-bromo-4-chloro-6-cyclopropyl-2-(1,4-dioxan-2-yl)pyrimidine (PubChem CID 66292667) has the molecular formula C11H12BrClN2O2 and a molecular weight of 319.59 g/mol. Its IUPAC name is 5-bromo-4-chloro-6-cyclopropyl-2-(1,4-dioxan-2-yl)pyrimidine.

Molecular Properties

Compound Name5-bromo-4-chloro-6-cyclopropyl-2-(1,4-dioxan-2-yl)pyrimidine
PubChem CID66292667
Molecular FormulaC11H12BrClN2O2
Molecular Weight319.59 g/mol
Exact Mass317.98
IUPAC Name5-bromo-4-chloro-6-cyclopropyl-2-(1,4-dioxan-2-yl)pyrimidine
SMILESClc1nc(C2COCCO2)nc(C2CC2)c1Br
InChIInChI=1S/C11H12BrClN2O2/c12-8-9(6-1-2-6)14-11(15-10(8)13)7-5-16-3-4-17-7/h6-7H,1-5H2
InChIKeyMASUFVSMPHWTJW-UHFFFAOYSA-N
XLogP2.86
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.59
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-bromo-4-chloro-6-cyclopropyl-2-(1,4-dioxan-2-yl)pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-6-cyclopropyl-2-(1,4-dioxan-2-yl)pyrimidine?
The IUPAC name of 5-bromo-4-chloro-6-cyclopropyl-2-(1,4-dioxan-2-yl)pyrimidine (CID 66292667) is 5-bromo-4-chloro-6-cyclopropyl-2-(1,4-dioxan-2-yl)pyrimidine.
What is the SMILES notation for 5-bromo-4-chloro-6-cyclopropyl-2-(1,4-dioxan-2-yl)pyrimidine?
The canonical SMILES for 5-bromo-4-chloro-6-cyclopropyl-2-(1,4-dioxan-2-yl)pyrimidine is Clc1nc(C2COCCO2)nc(C2CC2)c1Br.
What is the InChIKey of 5-bromo-4-chloro-6-cyclopropyl-2-(1,4-dioxan-2-yl)pyrimidine?
The InChIKey is MASUFVSMPHWTJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrClN2O2/c12-8-9(6-1-2-6)14-11(15-10(8)13)7-5-16-3-4-17-7/h6-7H,1-5H2.
What are the key properties of 5-bromo-4-chloro-6-cyclopropyl-2-(1,4-dioxan-2-yl)pyrimidine?
5-bromo-4-chloro-6-cyclopropyl-2-(1,4-dioxan-2-yl)pyrimidine has a molecular weight of 319.59 g/mol, XLogP of 2.86, 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-6-cyclopropyl-2-(1,4-dioxan-2-yl)pyrimidine is sourced from PubChem (CID 66292667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).