5,6-dichloro-3-(3-methoxypropyl)pyrimidin-4-one

C8H10Cl2N2O2 — CID 114583020

IUPAC5,6-dichloro-3-(3-methoxypropyl)pyrimidin-4-one
SMILESCOCCCn1cnc(Cl)c(Cl)c1=O
InChIInChI=1S/C8H10Cl2N2O2/c1-14-4-2-3-12-5-11-7(10)6(9)8(12)13/h5H,2-4H2,1H3
InChIKeyHGLGOOWMXXXEDU-UHFFFAOYSA-N
MW237.09 g/mol
LogP1.59
Rot. Bonds4

About 5,6-dichloro-3-(3-methoxypropyl)pyrimidin-4-one

5,6-dichloro-3-(3-methoxypropyl)pyrimidin-4-one (PubChem CID 114583020) has the molecular formula C8H10Cl2N2O2 and a molecular weight of 237.09 g/mol. Its IUPAC name is 5,6-dichloro-3-(3-methoxypropyl)pyrimidin-4-one.

Molecular Properties

Compound Name5,6-dichloro-3-(3-methoxypropyl)pyrimidin-4-one
PubChem CID114583020
Molecular FormulaC8H10Cl2N2O2
Molecular Weight237.09 g/mol
Exact Mass236.01
IUPAC Name5,6-dichloro-3-(3-methoxypropyl)pyrimidin-4-one
SMILESCOCCCn1cnc(Cl)c(Cl)c1=O
InChIInChI=1S/C8H10Cl2N2O2/c1-14-4-2-3-12-5-11-7(10)6(9)8(12)13/h5H,2-4H2,1H3
InChIKeyHGLGOOWMXXXEDU-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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Related Compounds

5,6-Dichloro-3-[3-(2,2,2-trifluoroethoxy)propyl]pyrimidin-4-one
CID 113604310
2,6-Dichloro-3-(3-methoxypropyl)-4(3h)-pyrimidinone
CID 118483138
2,6-Dichloro-3-(1-methoxypropyl)pyrimidin-4-one
CID 118484035
5,6-Dichloro-3-(3-methoxy-3-methylbutyl)pyrimidin-4-one
CID 103036363
5,6-Dichloro-3-[2-(3-methoxypropoxy)ethyl]pyrimidin-4-one
CID 103182134
6-Chloro-3-[3-(2-methoxyethoxy)propyl]pyrimidin-4-one
CID 103411725
5,6-Dichloro-3-[3-(2-methoxyethoxy)propyl]pyrimidin-4-one
CID 103411727
6-Chloro-5-iodo-3-[3-(2-methoxyethoxy)propyl]pyrimidin-4-one
CID 103411729
5,6-Dichloro-3-[2-(2-methylpropoxy)ethyl]pyrimidin-4-one
CID 106455822
5,6-Dichloro-3-(2-propoxyethyl)pyrimidin-4-one
CID 106455823
5,6-Dichloro-3-pentan-2-ylpyrimidin-4-one
CID 107885728
2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-(3-methoxypropyl)acetamide
CID 113604359

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-3-(3-methoxypropyl)pyrimidin-4-one?
The IUPAC name of 5,6-dichloro-3-(3-methoxypropyl)pyrimidin-4-one (CID 114583020) is 5,6-dichloro-3-(3-methoxypropyl)pyrimidin-4-one.
What is the SMILES notation for 5,6-dichloro-3-(3-methoxypropyl)pyrimidin-4-one?
The canonical SMILES for 5,6-dichloro-3-(3-methoxypropyl)pyrimidin-4-one is COCCCn1cnc(Cl)c(Cl)c1=O.
What is the InChIKey of 5,6-dichloro-3-(3-methoxypropyl)pyrimidin-4-one?
The InChIKey is HGLGOOWMXXXEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Cl2N2O2/c1-14-4-2-3-12-5-11-7(10)6(9)8(12)13/h5H,2-4H2,1H3.
What are the key properties of 5,6-dichloro-3-(3-methoxypropyl)pyrimidin-4-one?
5,6-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 5,6-dichloro-3-(3-methoxypropyl)pyrimidin-4-one is sourced from PubChem (CID 114583020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).