3-(2-chloropyrimidin-4-yl)-4,4-dimethyl-1,3-oxazolidin-2-one

C9H10ClN3O2 — CID 89489710

IUPAC3-(2-chloropyrimidin-4-yl)-4,4-dimethyl-1,3-oxazolidin-2-one
SMILESCC1(C)COC(=O)N1c1ccnc(Cl)n1
InChIInChI=1S/C9H10ClN3O2/c1-9(2)5-15-8(14)13(9)6-3-4-11-7(10)12-6/h3-4H,5H2,1-2H3
InChIKeyDGRSGOSSKGZRIW-UHFFFAOYSA-N
MW227.65 g/mol
LogP1.87
Rot. Bonds1

About 3-(2-chloropyrimidin-4-yl)-4,4-dimethyl-1,3-oxazolidin-2-one

3-(2-chloropyrimidin-4-yl)-4,4-dimethyl-1,3-oxazolidin-2-one (PubChem CID 89489710) has the molecular formula C9H10ClN3O2 and a molecular weight of 227.65 g/mol. Its IUPAC name is 3-(2-chloropyrimidin-4-yl)-4,4-dimethyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(2-chloropyrimidin-4-yl)-4,4-dimethyl-1,3-oxazolidin-2-one
PubChem CID89489710
Molecular FormulaC9H10ClN3O2
Molecular Weight227.65 g/mol
Exact Mass227.05
IUPAC Name3-(2-chloropyrimidin-4-yl)-4,4-dimethyl-1,3-oxazolidin-2-one
SMILESCC1(C)COC(=O)N1c1ccnc(Cl)n1
InChIInChI=1S/C9H10ClN3O2/c1-9(2)5-15-8(14)13(9)6-3-4-11-7(10)12-6/h3-4H,5H2,1-2H3
InChIKeyDGRSGOSSKGZRIW-UHFFFAOYSA-N
XLogP1.87
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.65
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chloropyrimidin-4-yl)-4,4-dimethyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-(2-chloropyrimidin-4-yl)-4,4-dimethyl-1,3-oxazolidin-2-one (CID 89489710) is 3-(2-chloropyrimidin-4-yl)-4,4-dimethyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(2-chloropyrimidin-4-yl)-4,4-dimethyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(2-chloropyrimidin-4-yl)-4,4-dimethyl-1,3-oxazolidin-2-one is CC1(C)COC(=O)N1c1ccnc(Cl)n1.
What is the InChIKey of 3-(2-chloropyrimidin-4-yl)-4,4-dimethyl-1,3-oxazolidin-2-one?
The InChIKey is DGRSGOSSKGZRIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3O2/c1-9(2)5-15-8(14)13(9)6-3-4-11-7(10)12-6/h3-4H,5H2,1-2H3.
What are the key properties of 3-(2-chloropyrimidin-4-yl)-4,4-dimethyl-1,3-oxazolidin-2-one?
3-(2-chloropyrimidin-4-yl)-4,4-dimethyl-1,3-oxazolidin-2-one has a molecular weight of 227.65 g/mol, XLogP of 1.87, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloropyrimidin-4-yl)-4,4-dimethyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 89489710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).