6-chloro-2-cyclopropyl-3-[2-(3-methoxypropoxy)ethyl]pyrimidin-4-one

C13H19ClN2O3 — CID 103182144

IUPAC6-chloro-2-cyclopropyl-3-[2-(3-methoxypropoxy)ethyl]pyrimidin-4-one
SMILESCOCCCOCCn1c(C2CC2)nc(Cl)cc1=O
InChIInChI=1S/C13H19ClN2O3/c1-18-6-2-7-19-8-5-16-12(17)9-11(14)15-13(16)10-3-4-10/h9-10H,2-8H2,1H3
InChIKeyRJRJMSIEERUMLN-UHFFFAOYSA-N
MW286.76 g/mol
LogP1.83
Rot. Bonds8

About 6-chloro-2-cyclopropyl-3-[2-(3-methoxypropoxy)ethyl]pyrimidin-4-one

6-chloro-2-cyclopropyl-3-[2-(3-methoxypropoxy)ethyl]pyrimidin-4-one (PubChem CID 103182144) has the molecular formula C13H19ClN2O3 and a molecular weight of 286.76 g/mol. Its IUPAC name is 6-chloro-2-cyclopropyl-3-[2-(3-methoxypropoxy)ethyl]pyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-2-cyclopropyl-3-[2-(3-methoxypropoxy)ethyl]pyrimidin-4-one
PubChem CID103182144
Molecular FormulaC13H19ClN2O3
Molecular Weight286.76 g/mol
Exact Mass286.11
IUPAC Name6-chloro-2-cyclopropyl-3-[2-(3-methoxypropoxy)ethyl]pyrimidin-4-one
SMILESCOCCCOCCn1c(C2CC2)nc(Cl)cc1=O
InChIInChI=1S/C13H19ClN2O3/c1-18-6-2-7-19-8-5-16-12(17)9-11(14)15-13(16)10-3-4-10/h9-10H,2-8H2,1H3
InChIKeyRJRJMSIEERUMLN-UHFFFAOYSA-N
XLogP1.83
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 6-chloro-2-cyclopropyl-3-[2-(3-methoxypropoxy)ethyl]pyrimidin-4-one?
The IUPAC name of 6-chloro-2-cyclopropyl-3-[2-(3-methoxypropoxy)ethyl]pyrimidin-4-one (CID 103182144) is 6-chloro-2-cyclopropyl-3-[2-(3-methoxypropoxy)ethyl]pyrimidin-4-one.
What is the SMILES notation for 6-chloro-2-cyclopropyl-3-[2-(3-methoxypropoxy)ethyl]pyrimidin-4-one?
The canonical SMILES for 6-chloro-2-cyclopropyl-3-[2-(3-methoxypropoxy)ethyl]pyrimidin-4-one is COCCCOCCn1c(C2CC2)nc(Cl)cc1=O.
What is the InChIKey of 6-chloro-2-cyclopropyl-3-[2-(3-methoxypropoxy)ethyl]pyrimidin-4-one?
The InChIKey is RJRJMSIEERUMLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O3/c1-18-6-2-7-19-8-5-16-12(17)9-11(14)15-13(16)10-3-4-10/h9-10H,2-8H2,1H3.
What are the key properties of 6-chloro-2-cyclopropyl-3-[2-(3-methoxypropoxy)ethyl]pyrimidin-4-one?
6-chloro-2-cyclopropyl-3-[2-(3-methoxypropoxy)ethyl]pyrimidin-4-one has a molecular weight of 286.76 g/mol, XLogP of 1.83, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-cyclopropyl-3-[2-(3-methoxypropoxy)ethyl]pyrimidin-4-one is sourced from PubChem (CID 103182144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).