6-chloro-3-(3-methoxypropyl)pyrimidin-4-one

C8H11ClN2O2 — CID 114582155

IUPAC6-chloro-3-(3-methoxypropyl)pyrimidin-4-one
SMILESCOCCCn1cnc(Cl)cc1=O
InChIInChI=1S/C8H11ClN2O2/c1-13-4-2-3-11-6-10-7(9)5-8(11)12/h5-6H,2-4H2,1H3
InChIKeyUIXZCDZNPLIRMO-UHFFFAOYSA-N
MW202.64 g/mol
LogP0.93
Rot. Bonds4

About 6-chloro-3-(3-methoxypropyl)pyrimidin-4-one

6-chloro-3-(3-methoxypropyl)pyrimidin-4-one (PubChem CID 114582155) has the molecular formula C8H11ClN2O2 and a molecular weight of 202.64 g/mol. Its IUPAC name is 6-chloro-3-(3-methoxypropyl)pyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-3-(3-methoxypropyl)pyrimidin-4-one
PubChem CID114582155
Molecular FormulaC8H11ClN2O2
Molecular Weight202.64 g/mol
Exact Mass202.05
IUPAC Name6-chloro-3-(3-methoxypropyl)pyrimidin-4-one
SMILESCOCCCn1cnc(Cl)cc1=O
InChIInChI=1S/C8H11ClN2O2/c1-13-4-2-3-11-6-10-7(9)5-8(11)12/h5-6H,2-4H2,1H3
InChIKeyUIXZCDZNPLIRMO-UHFFFAOYSA-N
XLogP0.93
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.64
LogP ≤ 50.93
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

6-Chloro-2-methyl-3-[3-(2,2,2-trifluoroethoxy)propyl]pyrimidin-4-one
CID 114581643
6-Chloro-3-[3-(2,2,2-trifluoroethoxy)propyl]pyrimidin-4-one
CID 114582069
6-chloro-3-(tetrahydro-2H-pyran-4-yl)pyrimidin-4(3H)-one
CID 114582250
6-Chloro-3-(2-methoxyethyl)-4(3h)-pyrimidinone
CID 114582282
2,6-Dichloro-3-(3-methoxypropyl)-4(3h)-pyrimidinone
CID 118483138
2,6-Dichloro-3-(1-methoxypropyl)pyrimidin-4-one
CID 118484035
6-Ethoxy-1,3-diethylpyrimidin-1-ium-4-one
CID 12335020
6-Chloro-3-(3-methoxy-3-methylbutyl)pyrimidin-4-one
CID 103036361
6-Chloro-3-[2-(3-methoxypropoxy)ethyl]pyrimidin-4-one
CID 103182127
6-Chloro-3-[3-(2-methoxyethoxy)propyl]-2-methylpyrimidin-4-one
CID 103411723
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

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(3-methoxypropyl)pyrimidin-4-one?
The IUPAC name of 6-chloro-3-(3-methoxypropyl)pyrimidin-4-one (CID 114582155) is 6-chloro-3-(3-methoxypropyl)pyrimidin-4-one.
What is the SMILES notation for 6-chloro-3-(3-methoxypropyl)pyrimidin-4-one?
The canonical SMILES for 6-chloro-3-(3-methoxypropyl)pyrimidin-4-one is COCCCn1cnc(Cl)cc1=O.
What is the InChIKey of 6-chloro-3-(3-methoxypropyl)pyrimidin-4-one?
The InChIKey is UIXZCDZNPLIRMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O2/c1-13-4-2-3-11-6-10-7(9)5-8(11)12/h5-6H,2-4H2,1H3.
What are the key properties of 6-chloro-3-(3-methoxypropyl)pyrimidin-4-one?
6-chloro-3-(3-methoxypropyl)pyrimidin-4-one has a molecular weight of 202.64 g/mol, XLogP of 0.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(3-methoxypropyl)pyrimidin-4-one is sourced from PubChem (CID 114582155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).