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

C9H12Cl2N2O2 — CID 106455823

IUPAC5,6-dichloro-3-(2-propoxyethyl)pyrimidin-4-one
SMILESCCCOCCn1cnc(Cl)c(Cl)c1=O
InChIInChI=1S/C9H12Cl2N2O2/c1-2-4-15-5-3-13-6-12-8(11)7(10)9(13)14/h6H,2-5H2,1H3
InChIKeyDXDFVUWKDGQMDK-UHFFFAOYSA-N
MW251.11 g/mol
LogP1.98
Rot. Bonds5

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

5,6-dichloro-3-(2-propoxyethyl)pyrimidin-4-one (PubChem CID 106455823) has the molecular formula C9H12Cl2N2O2 and a molecular weight of 251.11 g/mol. Its IUPAC name is 5,6-dichloro-3-(2-propoxyethyl)pyrimidin-4-one.

Molecular Properties

Compound Name5,6-dichloro-3-(2-propoxyethyl)pyrimidin-4-one
PubChem CID106455823
Molecular FormulaC9H12Cl2N2O2
Molecular Weight251.11 g/mol
Exact Mass250.03
IUPAC Name5,6-dichloro-3-(2-propoxyethyl)pyrimidin-4-one
SMILESCCCOCCn1cnc(Cl)c(Cl)c1=O
InChIInChI=1S/C9H12Cl2N2O2/c1-2-4-15-5-3-13-6-12-8(11)7(10)9(13)14/h6H,2-5H2,1H3
InChIKeyDXDFVUWKDGQMDK-UHFFFAOYSA-N
XLogP1.98
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.11
LogP ≤ 51.98
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-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-one
CID 114583273
5,6-Dichloro-3-[2-(trifluoromethoxy)ethyl]pyrimidin-4-one
CID 114583292
6-Chloro-3-(2-methoxyethyl)-4(3h)-pyrimidinone
CID 114582282
6-Chloro-3-[2-(3-methoxypropoxy)ethyl]pyrimidin-4-one
CID 103182127
5,6-Dichloro-3-[2-(3-methoxypropoxy)ethyl]pyrimidin-4-one
CID 103182134
5-Bromo-6-chloro-3-[2-(3-methoxypropoxy)ethyl]pyrimidin-4-one
CID 103182136
6-Chloro-5-iodo-3-[2-(3-methoxypropoxy)ethyl]pyrimidin-4-one
CID 103182140
5,6-Dichloro-3-[3-(2-methoxyethoxy)propyl]pyrimidin-4-one
CID 103411727
6-Chloro-3-[2-(2-methylpropoxy)ethyl]pyrimidin-4-one
CID 106455818
6-Chloro-3-(2-propoxyethyl)pyrimidin-4-one
CID 106455819
5,6-Dichloro-3-[2-(2-methylpropoxy)ethyl]pyrimidin-4-one
CID 106455822
5-Bromo-6-chloro-3-(2-propoxyethyl)pyrimidin-4-one
CID 106455825

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-3-(2-propoxyethyl)pyrimidin-4-one?
The IUPAC name of 5,6-dichloro-3-(2-propoxyethyl)pyrimidin-4-one (CID 106455823) is 5,6-dichloro-3-(2-propoxyethyl)pyrimidin-4-one.
What is the SMILES notation for 5,6-dichloro-3-(2-propoxyethyl)pyrimidin-4-one?
The canonical SMILES for 5,6-dichloro-3-(2-propoxyethyl)pyrimidin-4-one is CCCOCCn1cnc(Cl)c(Cl)c1=O.
What is the InChIKey of 5,6-dichloro-3-(2-propoxyethyl)pyrimidin-4-one?
The InChIKey is DXDFVUWKDGQMDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12Cl2N2O2/c1-2-4-15-5-3-13-6-12-8(11)7(10)9(13)14/h6H,2-5H2,1H3.
What are the key properties of 5,6-dichloro-3-(2-propoxyethyl)pyrimidin-4-one?
5,6-dichloro-3-(2-propoxyethyl)pyrimidin-4-one has a molecular weight of 251.11 g/mol, XLogP of 1.98, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-3-(2-propoxyethyl)pyrimidin-4-one is sourced from PubChem (CID 106455823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).