1-(5-ethyl-4,6-dimethoxypyrimidin-2-yl)propan-2-one

C11H16N2O3 — CID 14792712

IUPAC1-(5-ethyl-4,6-dimethoxypyrimidin-2-yl)propan-2-one
SMILESCCc1c(OC)nc(CC(C)=O)nc1OC
InChIInChI=1S/C11H16N2O3/c1-5-8-10(15-3)12-9(6-7(2)14)13-11(8)16-4/h5-6H2,1-4H3
InChIKeyRLFDJIVMZZXXPH-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.19
Rot. Bonds5

About 1-(5-ethyl-4,6-dimethoxypyrimidin-2-yl)propan-2-one

1-(5-ethyl-4,6-dimethoxypyrimidin-2-yl)propan-2-one (PubChem CID 14792712) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 1-(5-ethyl-4,6-dimethoxypyrimidin-2-yl)propan-2-one.

Molecular Properties

Compound Name1-(5-ethyl-4,6-dimethoxypyrimidin-2-yl)propan-2-one
PubChem CID14792712
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name1-(5-ethyl-4,6-dimethoxypyrimidin-2-yl)propan-2-one
SMILESCCc1c(OC)nc(CC(C)=O)nc1OC
InChIInChI=1S/C11H16N2O3/c1-5-8-10(15-3)12-9(6-7(2)14)13-11(8)16-4/h5-6H2,1-4H3
InChIKeyRLFDJIVMZZXXPH-UHFFFAOYSA-N
XLogP1.19
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-4,6-dimethoxypyrimidin-2-yl)propan-2-one?
The IUPAC name of 1-(5-ethyl-4,6-dimethoxypyrimidin-2-yl)propan-2-one (CID 14792712) is 1-(5-ethyl-4,6-dimethoxypyrimidin-2-yl)propan-2-one.
What is the SMILES notation for 1-(5-ethyl-4,6-dimethoxypyrimidin-2-yl)propan-2-one?
The canonical SMILES for 1-(5-ethyl-4,6-dimethoxypyrimidin-2-yl)propan-2-one is CCc1c(OC)nc(CC(C)=O)nc1OC.
What is the InChIKey of 1-(5-ethyl-4,6-dimethoxypyrimidin-2-yl)propan-2-one?
The InChIKey is RLFDJIVMZZXXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-5-8-10(15-3)12-9(6-7(2)14)13-11(8)16-4/h5-6H2,1-4H3.
What are the key properties of 1-(5-ethyl-4,6-dimethoxypyrimidin-2-yl)propan-2-one?
1-(5-ethyl-4,6-dimethoxypyrimidin-2-yl)propan-2-one has a molecular weight of 224.26 g/mol, XLogP of 1.19, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-4,6-dimethoxypyrimidin-2-yl)propan-2-one is sourced from PubChem (CID 14792712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).