5,6-dichloro-3-(propan-2-yloxymethyl)pyrimidin-4-one

C8H10Cl2N2O2 — CID 130551563

IUPAC5,6-dichloro-3-(propan-2-yloxymethyl)pyrimidin-4-one
SMILESCC(C)OCn1cnc(Cl)c(Cl)c1=O
InChIInChI=1S/C8H10Cl2N2O2/c1-5(2)14-4-12-3-11-7(10)6(9)8(12)13/h3,5H,4H2,1-2H3
InChIKeyMEGPUOVZWNSBDN-UHFFFAOYSA-N
MW237.09 g/mol
LogP1.93
Rot. Bonds3

About 5,6-dichloro-3-(propan-2-yloxymethyl)pyrimidin-4-one

5,6-dichloro-3-(propan-2-yloxymethyl)pyrimidin-4-one (PubChem CID 130551563) has the molecular formula C8H10Cl2N2O2 and a molecular weight of 237.09 g/mol. Its IUPAC name is 5,6-dichloro-3-(propan-2-yloxymethyl)pyrimidin-4-one.

Molecular Properties

Compound Name5,6-dichloro-3-(propan-2-yloxymethyl)pyrimidin-4-one
PubChem CID130551563
Molecular FormulaC8H10Cl2N2O2
Molecular Weight237.09 g/mol
Exact Mass236.01
IUPAC Name5,6-dichloro-3-(propan-2-yloxymethyl)pyrimidin-4-one
SMILESCC(C)OCn1cnc(Cl)c(Cl)c1=O
InChIInChI=1S/C8H10Cl2N2O2/c1-5(2)14-4-12-3-11-7(10)6(9)8(12)13/h3,5H,4H2,1-2H3
InChIKeyMEGPUOVZWNSBDN-UHFFFAOYSA-N
XLogP1.93
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.09
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5,6-dichloro-3-(2-methoxyethyl)pyrimidin-4-one
CID 114583146
5,6-dichloro-3-(2-methylpentyl)pyrimidin-4-one
CID 114582971
5,6-dichloro-3-(4-methylpentan-2-yl)pyrimidin-4-one
CID 130519559
5,6-dichloro-3-prop-2-ynylpyrimidin-4-one
CID 114583014
5,6-dichloro-3-pent-3-ynylpyrimidin-4-one
CID 114583206
5,6-dichloro-3-(3-chloro-2-methylprop-2-enyl)pyrimidin-4-one
CID 106439753
3-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-ethylpropanamide
CID 114583232
5,6-dichloro-3-(3,3,3-trifluoropropyl)pyrimidin-4-one
CID 114582912
2-(4,5-dichloro-6-oxopyrimidin-1-yl)propanenitrile
CID 114583067
2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-pentan-3-ylacetamide
CID 114583240
N-carbamoyl-2-(4,5-dichloro-6-oxopyrimidin-1-yl)acetamide
CID 114582909
5,6-dichloro-3-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-one
CID 114583074

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-3-(propan-2-yloxymethyl)pyrimidin-4-one?
The IUPAC name of 5,6-dichloro-3-(propan-2-yloxymethyl)pyrimidin-4-one (CID 130551563) is 5,6-dichloro-3-(propan-2-yloxymethyl)pyrimidin-4-one.
What is the SMILES notation for 5,6-dichloro-3-(propan-2-yloxymethyl)pyrimidin-4-one?
The canonical SMILES for 5,6-dichloro-3-(propan-2-yloxymethyl)pyrimidin-4-one is CC(C)OCn1cnc(Cl)c(Cl)c1=O.
What is the InChIKey of 5,6-dichloro-3-(propan-2-yloxymethyl)pyrimidin-4-one?
The InChIKey is MEGPUOVZWNSBDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Cl2N2O2/c1-5(2)14-4-12-3-11-7(10)6(9)8(12)13/h3,5H,4H2,1-2H3.
What are the key properties of 5,6-dichloro-3-(propan-2-yloxymethyl)pyrimidin-4-one?
5,6-dichloro-3-(propan-2-yloxymethyl)pyrimidin-4-one has a molecular weight of 237.09 g/mol, XLogP of 1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-3-(propan-2-yloxymethyl)pyrimidin-4-one is sourced from PubChem (CID 130551563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).