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

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Related Compounds

5-Bromo-4-chloro-6-propan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine
CID 103146725
5-Bromo-4-chloro-6-cyclopropyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine
CID 103146734
5-Bromo-4-chloro-6-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethyl]pyrimidine
CID 103146735
5-Bromo-4-chloro-6-(2-methylpropyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine
CID 103146738
5-Bromo-4-chloro-2-[2-(2,2-difluoroethoxy)ethyl]-6-(2-methylpropyl)pyrimidine
CID 103146739
5-Bromo-4-chloro-6-propyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidine
CID 103473569
5-Bromo-4-chloro-6-propyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine
CID 103473570
5-Bromo-4-tert-butyl-6-chloro-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine
CID 103473573
5-Bromo-4-chloro-6-ethyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidine
CID 103473576
5-Bromo-4-chloro-6-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)pyrimidine
CID 103473579
5-Bromo-4-chloro-6-propan-2-yl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine
CID 103473580
5-Bromo-4-chloro-6-cyclopropyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine
CID 103473590

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).