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

C10H12Cl2N2O2 — CID 103136903

IUPAC5,6-dichloro-3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one
SMILESCC1CCC(Cn2cnc(Cl)c(Cl)c2=O)O1
InChIInChI=1S/C10H12Cl2N2O2/c1-6-2-3-7(16-6)4-14-5-13-9(12)8(11)10(14)15/h5-7H,2-4H2,1H3
InChIKeyQMNBICDBDPMFNN-UHFFFAOYSA-N
MW263.12 g/mol
LogP2.12
Rot. Bonds2

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

5,6-dichloro-3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one (PubChem CID 103136903) has the molecular formula C10H12Cl2N2O2 and a molecular weight of 263.12 g/mol. Its IUPAC name is 5,6-dichloro-3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one.

Molecular Properties

Compound Name5,6-dichloro-3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one
PubChem CID103136903
Molecular FormulaC10H12Cl2N2O2
Molecular Weight263.12 g/mol
Exact Mass262.03
IUPAC Name5,6-dichloro-3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one
SMILESCC1CCC(Cn2cnc(Cl)c(Cl)c2=O)O1
InChIInChI=1S/C10H12Cl2N2O2/c1-6-2-3-7(16-6)4-14-5-13-9(12)8(11)10(14)15/h5-7H,2-4H2,1H3
InChIKeyQMNBICDBDPMFNN-UHFFFAOYSA-N
XLogP2.12
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.12
LogP ≤ 52.12
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-methyloxolan-2-yl)methyl]pyrimidin-4-one?
The IUPAC name of 5,6-dichloro-3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one (CID 103136903) is 5,6-dichloro-3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one.
What is the SMILES notation for 5,6-dichloro-3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one?
The canonical SMILES for 5,6-dichloro-3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one is CC1CCC(Cn2cnc(Cl)c(Cl)c2=O)O1.
What is the InChIKey of 5,6-dichloro-3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one?
The InChIKey is QMNBICDBDPMFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2N2O2/c1-6-2-3-7(16-6)4-14-5-13-9(12)8(11)10(14)15/h5-7H,2-4H2,1H3.
What are the key properties of 5,6-dichloro-3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one?
5,6-dichloro-3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one has a molecular weight of 263.12 g/mol, XLogP of 2.12, 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-methyloxolan-2-yl)methyl]pyrimidin-4-one is sourced from PubChem (CID 103136903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).