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

C8H10Cl2N2O2 — CID 118483138

IUPAC2,6-dichloro-3-(3-methoxypropyl)pyrimidin-4-one
SMILESCOCCCn1c(Cl)nc(Cl)cc1=O
InChIInChI=1S/C8H10Cl2N2O2/c1-14-4-2-3-12-7(13)5-6(9)11-8(12)10/h5H,2-4H2,1H3
InChIKeyMPRXBVBVDUXUHM-UHFFFAOYSA-N
MW237.09 g/mol
LogP1.59
Rot. Bonds4

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

2,6-dichloro-3-(3-methoxypropyl)pyrimidin-4-one (PubChem CID 118483138) has the molecular formula C8H10Cl2N2O2 and a molecular weight of 237.09 g/mol. Its IUPAC name is 2,6-dichloro-3-(3-methoxypropyl)pyrimidin-4-one.

Molecular Properties

Compound Name2,6-dichloro-3-(3-methoxypropyl)pyrimidin-4-one
PubChem CID118483138
Molecular FormulaC8H10Cl2N2O2
Molecular Weight237.09 g/mol
Exact Mass236.01
IUPAC Name2,6-dichloro-3-(3-methoxypropyl)pyrimidin-4-one
SMILESCOCCCn1c(Cl)nc(Cl)cc1=O
InChIInChI=1S/C8H10Cl2N2O2/c1-14-4-2-3-12-7(13)5-6(9)11-8(12)10/h5H,2-4H2,1H3
InChIKeyMPRXBVBVDUXUHM-UHFFFAOYSA-N
XLogP1.59
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.09
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-3-(3-methoxypropyl)pyrimidin-4-one?
The IUPAC name of 2,6-dichloro-3-(3-methoxypropyl)pyrimidin-4-one (CID 118483138) is 2,6-dichloro-3-(3-methoxypropyl)pyrimidin-4-one.
What is the SMILES notation for 2,6-dichloro-3-(3-methoxypropyl)pyrimidin-4-one?
The canonical SMILES for 2,6-dichloro-3-(3-methoxypropyl)pyrimidin-4-one is COCCCn1c(Cl)nc(Cl)cc1=O.
What is the InChIKey of 2,6-dichloro-3-(3-methoxypropyl)pyrimidin-4-one?
The InChIKey is MPRXBVBVDUXUHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Cl2N2O2/c1-14-4-2-3-12-7(13)5-6(9)11-8(12)10/h5H,2-4H2,1H3.
What are the key properties of 2,6-dichloro-3-(3-methoxypropyl)pyrimidin-4-one?
2,6-dichloro-3-(3-methoxypropyl)pyrimidin-4-one has a molecular weight of 237.09 g/mol, XLogP of 1.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-3-(3-methoxypropyl)pyrimidin-4-one is sourced from PubChem (CID 118483138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).