3-methyl-5-[2-(methylamino)ethyl]pyrimidin-4-one

C8H13N3O — CID 83873639

IUPAC3-methyl-5-[2-(methylamino)ethyl]pyrimidin-4-one
SMILESCNCCc1cncn(C)c1=O
InChIInChI=1S/C8H13N3O/c1-9-4-3-7-5-10-6-11(2)8(7)12/h5-6,9H,3-4H2,1-2H3
InChIKeyLMLGWAXWPKKYHR-UHFFFAOYSA-N
MW167.21 g/mol
LogP-0.46
Rot. Bonds3

About 3-methyl-5-[2-(methylamino)ethyl]pyrimidin-4-one

3-methyl-5-[2-(methylamino)ethyl]pyrimidin-4-one (PubChem CID 83873639) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 3-methyl-5-[2-(methylamino)ethyl]pyrimidin-4-one.

Molecular Properties

Compound Name3-methyl-5-[2-(methylamino)ethyl]pyrimidin-4-one
PubChem CID83873639
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name3-methyl-5-[2-(methylamino)ethyl]pyrimidin-4-one
SMILESCNCCc1cncn(C)c1=O
InChIInChI=1S/C8H13N3O/c1-9-4-3-7-5-10-6-11(2)8(7)12/h5-6,9H,3-4H2,1-2H3
InChIKeyLMLGWAXWPKKYHR-UHFFFAOYSA-N
XLogP-0.46
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-methyl-5-[2-(methylamino)ethyl]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-methyl-5-[2-(methylamino)ethyl]pyrimidin-4-one?
The IUPAC name of 3-methyl-5-[2-(methylamino)ethyl]pyrimidin-4-one (CID 83873639) is 3-methyl-5-[2-(methylamino)ethyl]pyrimidin-4-one.
What is the SMILES notation for 3-methyl-5-[2-(methylamino)ethyl]pyrimidin-4-one?
The canonical SMILES for 3-methyl-5-[2-(methylamino)ethyl]pyrimidin-4-one is CNCCc1cncn(C)c1=O.
What is the InChIKey of 3-methyl-5-[2-(methylamino)ethyl]pyrimidin-4-one?
The InChIKey is LMLGWAXWPKKYHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-9-4-3-7-5-10-6-11(2)8(7)12/h5-6,9H,3-4H2,1-2H3.
What are the key properties of 3-methyl-5-[2-(methylamino)ethyl]pyrimidin-4-one?
3-methyl-5-[2-(methylamino)ethyl]pyrimidin-4-one has a molecular weight of 167.21 g/mol, XLogP of -0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[2-(methylamino)ethyl]pyrimidin-4-one is sourced from PubChem (CID 83873639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).