3-ethyl-5,6-dimethyl-2-(methylamino)pyrimidin-4-one

C9H15N3O — CID 18334354

IUPAC3-ethyl-5,6-dimethyl-2-(methylamino)pyrimidin-4-one
SMILESCCn1c(NC)nc(C)c(C)c1=O
InChIInChI=1S/C9H15N3O/c1-5-12-8(13)6(2)7(3)11-9(12)10-4/h5H2,1-4H3,(H,10,11)
InChIKeyDIZIGLWOOYUOOV-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.92
Rot. Bonds2

About 3-ethyl-5,6-dimethyl-2-(methylamino)pyrimidin-4-one

3-ethyl-5,6-dimethyl-2-(methylamino)pyrimidin-4-one (PubChem CID 18334354) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 3-ethyl-5,6-dimethyl-2-(methylamino)pyrimidin-4-one.

Molecular Properties

Compound Name3-ethyl-5,6-dimethyl-2-(methylamino)pyrimidin-4-one
PubChem CID18334354
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name3-ethyl-5,6-dimethyl-2-(methylamino)pyrimidin-4-one
SMILESCCn1c(NC)nc(C)c(C)c1=O
InChIInChI=1S/C9H15N3O/c1-5-12-8(13)6(2)7(3)11-9(12)10-4/h5H2,1-4H3,(H,10,11)
InChIKeyDIZIGLWOOYUOOV-UHFFFAOYSA-N
XLogP0.92
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-ethyl-5,6-dimethyl-2-(methylamino)pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5,6-dimethyl-2-(methylamino)pyrimidin-4-one?
The IUPAC name of 3-ethyl-5,6-dimethyl-2-(methylamino)pyrimidin-4-one (CID 18334354) is 3-ethyl-5,6-dimethyl-2-(methylamino)pyrimidin-4-one.
What is the SMILES notation for 3-ethyl-5,6-dimethyl-2-(methylamino)pyrimidin-4-one?
The canonical SMILES for 3-ethyl-5,6-dimethyl-2-(methylamino)pyrimidin-4-one is CCn1c(NC)nc(C)c(C)c1=O.
What is the InChIKey of 3-ethyl-5,6-dimethyl-2-(methylamino)pyrimidin-4-one?
The InChIKey is DIZIGLWOOYUOOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-5-12-8(13)6(2)7(3)11-9(12)10-4/h5H2,1-4H3,(H,10,11).
What are the key properties of 3-ethyl-5,6-dimethyl-2-(methylamino)pyrimidin-4-one?
3-ethyl-5,6-dimethyl-2-(methylamino)pyrimidin-4-one has a molecular weight of 181.24 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5,6-dimethyl-2-(methylamino)pyrimidin-4-one is sourced from PubChem (CID 18334354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).