6-chloro-3-(2-methoxypropyl)pyrimidin-4-one

C8H11ClN2O2 — CID 114582402

IUPAC6-chloro-3-(2-methoxypropyl)pyrimidin-4-one
SMILESCOC(C)Cn1cnc(Cl)cc1=O
InChIInChI=1S/C8H11ClN2O2/c1-6(13-2)4-11-5-10-7(9)3-8(11)12/h3,5-6H,4H2,1-2H3
InChIKeyUHVTVTZDSJXGCJ-UHFFFAOYSA-N
MW202.64 g/mol
LogP0.93
Rot. Bonds3

About 6-chloro-3-(2-methoxypropyl)pyrimidin-4-one

6-chloro-3-(2-methoxypropyl)pyrimidin-4-one (PubChem CID 114582402) has the molecular formula C8H11ClN2O2 and a molecular weight of 202.64 g/mol. Its IUPAC name is 6-chloro-3-(2-methoxypropyl)pyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-3-(2-methoxypropyl)pyrimidin-4-one
PubChem CID114582402
Molecular FormulaC8H11ClN2O2
Molecular Weight202.64 g/mol
Exact Mass202.05
IUPAC Name6-chloro-3-(2-methoxypropyl)pyrimidin-4-one
SMILESCOC(C)Cn1cnc(Cl)cc1=O
InChIInChI=1S/C8H11ClN2O2/c1-6(13-2)4-11-5-10-7(9)3-8(11)12/h3,5-6H,4H2,1-2H3
InChIKeyUHVTVTZDSJXGCJ-UHFFFAOYSA-N
XLogP0.93
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(2-methoxypropyl)pyrimidin-4-one?
The IUPAC name of 6-chloro-3-(2-methoxypropyl)pyrimidin-4-one (CID 114582402) is 6-chloro-3-(2-methoxypropyl)pyrimidin-4-one.
What is the SMILES notation for 6-chloro-3-(2-methoxypropyl)pyrimidin-4-one?
The canonical SMILES for 6-chloro-3-(2-methoxypropyl)pyrimidin-4-one is COC(C)Cn1cnc(Cl)cc1=O.
What is the InChIKey of 6-chloro-3-(2-methoxypropyl)pyrimidin-4-one?
The InChIKey is UHVTVTZDSJXGCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O2/c1-6(13-2)4-11-5-10-7(9)3-8(11)12/h3,5-6H,4H2,1-2H3.
What are the key properties of 6-chloro-3-(2-methoxypropyl)pyrimidin-4-one?
6-chloro-3-(2-methoxypropyl)pyrimidin-4-one has a molecular weight of 202.64 g/mol, XLogP of 0.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(2-methoxypropyl)pyrimidin-4-one is sourced from PubChem (CID 114582402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).