5,6-dichloro-3-(1-methoxypropan-2-yl)pyrimidin-4-one

C8H10Cl2N2O2 — CID 114582991

IUPAC5,6-dichloro-3-(1-methoxypropan-2-yl)pyrimidin-4-one
SMILESCOCC(C)n1cnc(Cl)c(Cl)c1=O
InChIInChI=1S/C8H10Cl2N2O2/c1-5(3-14-2)12-4-11-7(10)6(9)8(12)13/h4-5H,3H2,1-2H3
InChIKeyMOMLTFXAWOPKHD-UHFFFAOYSA-N
MW237.09 g/mol
LogP1.76
Rot. Bonds3

About 5,6-dichloro-3-(1-methoxypropan-2-yl)pyrimidin-4-one

5,6-dichloro-3-(1-methoxypropan-2-yl)pyrimidin-4-one (PubChem CID 114582991) has the molecular formula C8H10Cl2N2O2 and a molecular weight of 237.09 g/mol. Its IUPAC name is 5,6-dichloro-3-(1-methoxypropan-2-yl)pyrimidin-4-one.

Molecular Properties

Compound Name5,6-dichloro-3-(1-methoxypropan-2-yl)pyrimidin-4-one
PubChem CID114582991
Molecular FormulaC8H10Cl2N2O2
Molecular Weight237.09 g/mol
Exact Mass236.01
IUPAC Name5,6-dichloro-3-(1-methoxypropan-2-yl)pyrimidin-4-one
SMILESCOCC(C)n1cnc(Cl)c(Cl)c1=O
InChIInChI=1S/C8H10Cl2N2O2/c1-5(3-14-2)12-4-11-7(10)6(9)8(12)13/h4-5H,3H2,1-2H3
InChIKeyMOMLTFXAWOPKHD-UHFFFAOYSA-N
XLogP1.76
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 ≤ 51.76
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-(1-methoxypropan-2-yl)pyrimidin-4-one?
The IUPAC name of 5,6-dichloro-3-(1-methoxypropan-2-yl)pyrimidin-4-one (CID 114582991) is 5,6-dichloro-3-(1-methoxypropan-2-yl)pyrimidin-4-one.
What is the SMILES notation for 5,6-dichloro-3-(1-methoxypropan-2-yl)pyrimidin-4-one?
The canonical SMILES for 5,6-dichloro-3-(1-methoxypropan-2-yl)pyrimidin-4-one is COCC(C)n1cnc(Cl)c(Cl)c1=O.
What is the InChIKey of 5,6-dichloro-3-(1-methoxypropan-2-yl)pyrimidin-4-one?
The InChIKey is MOMLTFXAWOPKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Cl2N2O2/c1-5(3-14-2)12-4-11-7(10)6(9)8(12)13/h4-5H,3H2,1-2H3.
What are the key properties of 5,6-dichloro-3-(1-methoxypropan-2-yl)pyrimidin-4-one?
5,6-dichloro-3-(1-methoxypropan-2-yl)pyrimidin-4-one has a molecular weight of 237.09 g/mol, XLogP of 1.76, 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-(1-methoxypropan-2-yl)pyrimidin-4-one is sourced from PubChem (CID 114582991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).