6-chloro-2-ethyl-3-(2-propoxyethyl)pyrimidin-4-one

C11H17ClN2O2 — CID 106455829

IUPAC6-chloro-2-ethyl-3-(2-propoxyethyl)pyrimidin-4-one
SMILESCCCOCCn1c(CC)nc(Cl)cc1=O
InChIInChI=1S/C11H17ClN2O2/c1-3-6-16-7-5-14-10(4-2)13-9(12)8-11(14)15/h8H,3-7H2,1-2H3
InChIKeyOYUGWQRCLPPMOF-UHFFFAOYSA-N
MW244.72 g/mol
LogP1.89
Rot. Bonds6

About 6-chloro-2-ethyl-3-(2-propoxyethyl)pyrimidin-4-one

6-chloro-2-ethyl-3-(2-propoxyethyl)pyrimidin-4-one (PubChem CID 106455829) has the molecular formula C11H17ClN2O2 and a molecular weight of 244.72 g/mol. Its IUPAC name is 6-chloro-2-ethyl-3-(2-propoxyethyl)pyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-2-ethyl-3-(2-propoxyethyl)pyrimidin-4-one
PubChem CID106455829
Molecular FormulaC11H17ClN2O2
Molecular Weight244.72 g/mol
Exact Mass244.10
IUPAC Name6-chloro-2-ethyl-3-(2-propoxyethyl)pyrimidin-4-one
SMILESCCCOCCn1c(CC)nc(Cl)cc1=O
InChIInChI=1S/C11H17ClN2O2/c1-3-6-16-7-5-14-10(4-2)13-9(12)8-11(14)15/h8H,3-7H2,1-2H3
InChIKeyOYUGWQRCLPPMOF-UHFFFAOYSA-N
XLogP1.89
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.72
LogP ≤ 51.89
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 6-chloro-2-ethyl-3-(2-propoxyethyl)pyrimidin-4-one?
The IUPAC name of 6-chloro-2-ethyl-3-(2-propoxyethyl)pyrimidin-4-one (CID 106455829) is 6-chloro-2-ethyl-3-(2-propoxyethyl)pyrimidin-4-one.
What is the SMILES notation for 6-chloro-2-ethyl-3-(2-propoxyethyl)pyrimidin-4-one?
The canonical SMILES for 6-chloro-2-ethyl-3-(2-propoxyethyl)pyrimidin-4-one is CCCOCCn1c(CC)nc(Cl)cc1=O.
What is the InChIKey of 6-chloro-2-ethyl-3-(2-propoxyethyl)pyrimidin-4-one?
The InChIKey is OYUGWQRCLPPMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O2/c1-3-6-16-7-5-14-10(4-2)13-9(12)8-11(14)15/h8H,3-7H2,1-2H3.
What are the key properties of 6-chloro-2-ethyl-3-(2-propoxyethyl)pyrimidin-4-one?
6-chloro-2-ethyl-3-(2-propoxyethyl)pyrimidin-4-one has a molecular weight of 244.72 g/mol, XLogP of 1.89, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-ethyl-3-(2-propoxyethyl)pyrimidin-4-one is sourced from PubChem (CID 106455829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).