4,6-dichloro-2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]pyrimidine;ethane

C12H18Cl2N2O3 — CID 156832181

IUPAC4,6-dichloro-2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]pyrimidine;ethane
SMILESCC.CC1(C)OCC(COc2nc(Cl)cc(Cl)n2)O1
InChIInChI=1S/C10H12Cl2N2O3.C2H6/c1-10(2)16-5-6(17-10)4-15-9-13-7(11)3-8(12)14-9;1-2/h3,6H,4-5H2,1-2H3;1-2H3
InChIKeyBRKZUWVVHCJMBJ-UHFFFAOYSA-N
MW309.19 g/mol
LogP3.34
Rot. Bonds3

About 4,6-dichloro-2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]pyrimidine;ethane

4,6-dichloro-2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]pyrimidine;ethane (PubChem CID 156832181) has the molecular formula C12H18Cl2N2O3 and a molecular weight of 309.19 g/mol. Its IUPAC name is 4,6-dichloro-2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]pyrimidine;ethane.

Molecular Properties

Compound Name4,6-dichloro-2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]pyrimidine;ethane
PubChem CID156832181
Molecular FormulaC12H18Cl2N2O3
Molecular Weight309.19 g/mol
Exact Mass308.07
IUPAC Name4,6-dichloro-2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]pyrimidine;ethane
SMILESCC.CC1(C)OCC(COc2nc(Cl)cc(Cl)n2)O1
InChIInChI=1S/C10H12Cl2N2O3.C2H6/c1-10(2)16-5-6(17-10)4-15-9-13-7(11)3-8(12)14-9;1-2/h3,6H,4-5H2,1-2H3;1-2H3
InChIKeyBRKZUWVVHCJMBJ-UHFFFAOYSA-N
XLogP3.34
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.19
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]pyrimidine;ethane?
The IUPAC name of 4,6-dichloro-2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]pyrimidine;ethane (CID 156832181) is 4,6-dichloro-2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]pyrimidine;ethane.
What is the SMILES notation for 4,6-dichloro-2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]pyrimidine;ethane?
The canonical SMILES for 4,6-dichloro-2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]pyrimidine;ethane is CC.CC1(C)OCC(COc2nc(Cl)cc(Cl)n2)O1.
What is the InChIKey of 4,6-dichloro-2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]pyrimidine;ethane?
The InChIKey is BRKZUWVVHCJMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2N2O3.C2H6/c1-10(2)16-5-6(17-10)4-15-9-13-7(11)3-8(12)14-9;1-2/h3,6H,4-5H2,1-2H3;1-2H3.
What are the key properties of 4,6-dichloro-2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]pyrimidine;ethane?
4,6-dichloro-2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]pyrimidine;ethane has a molecular weight of 309.19 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]pyrimidine;ethane is sourced from PubChem (CID 156832181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).