5,6-dichloro-3-[(5,5-dimethyloxolan-2-yl)methyl]pyrimidin-4-one

C11H14Cl2N2O2 — CID 114582890

IUPAC5,6-dichloro-3-[(5,5-dimethyloxolan-2-yl)methyl]pyrimidin-4-one
SMILESCC1(C)CCC(Cn2cnc(Cl)c(Cl)c2=O)O1
InChIInChI=1S/C11H14Cl2N2O2/c1-11(2)4-3-7(17-11)5-15-6-14-9(13)8(12)10(15)16/h6-7H,3-5H2,1-2H3
InChIKeyKUZOPTBXVAXQSM-UHFFFAOYSA-N
MW277.15 g/mol
LogP2.51
Rot. Bonds2

About 5,6-dichloro-3-[(5,5-dimethyloxolan-2-yl)methyl]pyrimidin-4-one

5,6-dichloro-3-[(5,5-dimethyloxolan-2-yl)methyl]pyrimidin-4-one (PubChem CID 114582890) has the molecular formula C11H14Cl2N2O2 and a molecular weight of 277.15 g/mol. Its IUPAC name is 5,6-dichloro-3-[(5,5-dimethyloxolan-2-yl)methyl]pyrimidin-4-one.

Molecular Properties

Compound Name5,6-dichloro-3-[(5,5-dimethyloxolan-2-yl)methyl]pyrimidin-4-one
PubChem CID114582890
Molecular FormulaC11H14Cl2N2O2
Molecular Weight277.15 g/mol
Exact Mass276.04
IUPAC Name5,6-dichloro-3-[(5,5-dimethyloxolan-2-yl)methyl]pyrimidin-4-one
SMILESCC1(C)CCC(Cn2cnc(Cl)c(Cl)c2=O)O1
InChIInChI=1S/C11H14Cl2N2O2/c1-11(2)4-3-7(17-11)5-15-6-14-9(13)8(12)10(15)16/h6-7H,3-5H2,1-2H3
InChIKeyKUZOPTBXVAXQSM-UHFFFAOYSA-N
XLogP2.51
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.15
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-3-[(5,5-dimethyloxolan-2-yl)methyl]pyrimidin-4-one?
The IUPAC name of 5,6-dichloro-3-[(5,5-dimethyloxolan-2-yl)methyl]pyrimidin-4-one (CID 114582890) is 5,6-dichloro-3-[(5,5-dimethyloxolan-2-yl)methyl]pyrimidin-4-one.
What is the SMILES notation for 5,6-dichloro-3-[(5,5-dimethyloxolan-2-yl)methyl]pyrimidin-4-one?
The canonical SMILES for 5,6-dichloro-3-[(5,5-dimethyloxolan-2-yl)methyl]pyrimidin-4-one is CC1(C)CCC(Cn2cnc(Cl)c(Cl)c2=O)O1.
What is the InChIKey of 5,6-dichloro-3-[(5,5-dimethyloxolan-2-yl)methyl]pyrimidin-4-one?
The InChIKey is KUZOPTBXVAXQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2O2/c1-11(2)4-3-7(17-11)5-15-6-14-9(13)8(12)10(15)16/h6-7H,3-5H2,1-2H3.
What are the key properties of 5,6-dichloro-3-[(5,5-dimethyloxolan-2-yl)methyl]pyrimidin-4-one?
5,6-dichloro-3-[(5,5-dimethyloxolan-2-yl)methyl]pyrimidin-4-one has a molecular weight of 277.15 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-3-[(5,5-dimethyloxolan-2-yl)methyl]pyrimidin-4-one is sourced from PubChem (CID 114582890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).