6-methyl-4-[2-(methylamino)ethyl]-1H-pyrimidin-2-one

C8H13N3O — CID 82468011

IUPAC6-methyl-4-[2-(methylamino)ethyl]-1H-pyrimidin-2-one
SMILESCNCCc1cc(C)[nH]c(=O)n1
InChIInChI=1S/C8H13N3O/c1-6-5-7(3-4-9-2)11-8(12)10-6/h5,9H,3-4H2,1-2H3,(H,10,11,12)
InChIKeyKTEFDJRWJKZOSF-UHFFFAOYSA-N
MW167.21 g/mol
LogP-0.16
Rot. Bonds3

About 6-methyl-4-[2-(methylamino)ethyl]-1H-pyrimidin-2-one

6-methyl-4-[2-(methylamino)ethyl]-1H-pyrimidin-2-one (PubChem CID 82468011) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 6-methyl-4-[2-(methylamino)ethyl]-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-methyl-4-[2-(methylamino)ethyl]-1H-pyrimidin-2-one
PubChem CID82468011
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name6-methyl-4-[2-(methylamino)ethyl]-1H-pyrimidin-2-one
SMILESCNCCc1cc(C)[nH]c(=O)n1
InChIInChI=1S/C8H13N3O/c1-6-5-7(3-4-9-2)11-8(12)10-6/h5,9H,3-4H2,1-2H3,(H,10,11,12)
InChIKeyKTEFDJRWJKZOSF-UHFFFAOYSA-N
XLogP-0.16
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-methyl-4-[2-(methylamino)ethyl]-1H-pyrimidin-2-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 6-methyl-4-[2-(methylamino)ethyl]-1H-pyrimidin-2-one?
The IUPAC name of 6-methyl-4-[2-(methylamino)ethyl]-1H-pyrimidin-2-one (CID 82468011) is 6-methyl-4-[2-(methylamino)ethyl]-1H-pyrimidin-2-one.
What is the SMILES notation for 6-methyl-4-[2-(methylamino)ethyl]-1H-pyrimidin-2-one?
The canonical SMILES for 6-methyl-4-[2-(methylamino)ethyl]-1H-pyrimidin-2-one is CNCCc1cc(C)[nH]c(=O)n1.
What is the InChIKey of 6-methyl-4-[2-(methylamino)ethyl]-1H-pyrimidin-2-one?
The InChIKey is KTEFDJRWJKZOSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-6-5-7(3-4-9-2)11-8(12)10-6/h5,9H,3-4H2,1-2H3,(H,10,11,12).
What are the key properties of 6-methyl-4-[2-(methylamino)ethyl]-1H-pyrimidin-2-one?
6-methyl-4-[2-(methylamino)ethyl]-1H-pyrimidin-2-one has a molecular weight of 167.21 g/mol, XLogP of -0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-[2-(methylamino)ethyl]-1H-pyrimidin-2-one is sourced from PubChem (CID 82468011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).