2-(dimethylamino)-4-ethoxy-1H-pyrimidin-6-one

C8H13N3O2 — CID 21415045

IUPAC2-(dimethylamino)-4-ethoxy-1H-pyrimidin-6-one
SMILESCCOc1cc(=O)[nH]c(N(C)C)n1
InChIInChI=1S/C8H13N3O2/c1-4-13-7-5-6(12)9-8(10-7)11(2)3/h5H,4H2,1-3H3,(H,9,10,12)
InChIKeyRUNARCGONULIOJ-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.23
Rot. Bonds3

About 2-(dimethylamino)-4-ethoxy-1H-pyrimidin-6-one

2-(dimethylamino)-4-ethoxy-1H-pyrimidin-6-one (PubChem CID 21415045) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 2-(dimethylamino)-4-ethoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(dimethylamino)-4-ethoxy-1H-pyrimidin-6-one
PubChem CID21415045
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name2-(dimethylamino)-4-ethoxy-1H-pyrimidin-6-one
SMILESCCOc1cc(=O)[nH]c(N(C)C)n1
InChIInChI=1S/C8H13N3O2/c1-4-13-7-5-6(12)9-8(10-7)11(2)3/h5H,4H2,1-3H3,(H,9,10,12)
InChIKeyRUNARCGONULIOJ-UHFFFAOYSA-N
XLogP0.23
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(dimethylamino)-4-ethoxy-1H-pyrimidin-6-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 2-(dimethylamino)-4-ethoxy-1H-pyrimidin-6-one?
The IUPAC name of 2-(dimethylamino)-4-ethoxy-1H-pyrimidin-6-one (CID 21415045) is 2-(dimethylamino)-4-ethoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(dimethylamino)-4-ethoxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-(dimethylamino)-4-ethoxy-1H-pyrimidin-6-one is CCOc1cc(=O)[nH]c(N(C)C)n1.
What is the InChIKey of 2-(dimethylamino)-4-ethoxy-1H-pyrimidin-6-one?
The InChIKey is RUNARCGONULIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-4-13-7-5-6(12)9-8(10-7)11(2)3/h5H,4H2,1-3H3,(H,9,10,12).
What are the key properties of 2-(dimethylamino)-4-ethoxy-1H-pyrimidin-6-one?
2-(dimethylamino)-4-ethoxy-1H-pyrimidin-6-one has a molecular weight of 183.21 g/mol, XLogP of 0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-4-ethoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 21415045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).