2,6-dichloro-3-(1-methoxypropyl)pyrimidin-4-one

C8H10Cl2N2O2 — CID 118484035

IUPAC2,6-dichloro-3-(1-methoxypropyl)pyrimidin-4-one
SMILESCCC(OC)n1c(Cl)nc(Cl)cc1=O
InChIInChI=1S/C8H10Cl2N2O2/c1-3-7(14-2)12-6(13)4-5(9)11-8(12)10/h4,7H,3H2,1-2H3
InChIKeyJDPGEJQIAQWMOV-UHFFFAOYSA-N
MW237.09 g/mol
LogP2.11
Rot. Bonds3

About 2,6-dichloro-3-(1-methoxypropyl)pyrimidin-4-one

2,6-dichloro-3-(1-methoxypropyl)pyrimidin-4-one (PubChem CID 118484035) has the molecular formula C8H10Cl2N2O2 and a molecular weight of 237.09 g/mol. Its IUPAC name is 2,6-dichloro-3-(1-methoxypropyl)pyrimidin-4-one.

Molecular Properties

Compound Name2,6-dichloro-3-(1-methoxypropyl)pyrimidin-4-one
PubChem CID118484035
Molecular FormulaC8H10Cl2N2O2
Molecular Weight237.09 g/mol
Exact Mass236.01
IUPAC Name2,6-dichloro-3-(1-methoxypropyl)pyrimidin-4-one
SMILESCCC(OC)n1c(Cl)nc(Cl)cc1=O
InChIInChI=1S/C8H10Cl2N2O2/c1-3-7(14-2)12-6(13)4-5(9)11-8(12)10/h4,7H,3H2,1-2H3
InChIKeyJDPGEJQIAQWMOV-UHFFFAOYSA-N
XLogP2.11
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 ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-3-(1-methoxypropyl)pyrimidin-4-one?
The IUPAC name of 2,6-dichloro-3-(1-methoxypropyl)pyrimidin-4-one (CID 118484035) is 2,6-dichloro-3-(1-methoxypropyl)pyrimidin-4-one.
What is the SMILES notation for 2,6-dichloro-3-(1-methoxypropyl)pyrimidin-4-one?
The canonical SMILES for 2,6-dichloro-3-(1-methoxypropyl)pyrimidin-4-one is CCC(OC)n1c(Cl)nc(Cl)cc1=O.
What is the InChIKey of 2,6-dichloro-3-(1-methoxypropyl)pyrimidin-4-one?
The InChIKey is JDPGEJQIAQWMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Cl2N2O2/c1-3-7(14-2)12-6(13)4-5(9)11-8(12)10/h4,7H,3H2,1-2H3.
What are the key properties of 2,6-dichloro-3-(1-methoxypropyl)pyrimidin-4-one?
2,6-dichloro-3-(1-methoxypropyl)pyrimidin-4-one has a molecular weight of 237.09 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-3-(1-methoxypropyl)pyrimidin-4-one is sourced from PubChem (CID 118484035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).