5-(diethylaminomethyl)-4-hydroxy-2-methyl-1H-pyrimidin-6-one

C10H17N3O2 — CID 3489833

IUPAC5-(diethylaminomethyl)-4-hydroxy-2-methyl-1H-pyrimidin-6-one
SMILESCCN(CC)Cc1c(O)nc(C)[nH]c1=O
InChIInChI=1S/C10H17N3O2/c1-4-13(5-2)6-8-9(14)11-7(3)12-10(8)15/h4-6H2,1-3H3,(H2,11,12,14,15)
InChIKeyZWTYUDWKQNUGOL-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.63
Rot. Bonds4

About 5-(diethylaminomethyl)-4-hydroxy-2-methyl-1H-pyrimidin-6-one

5-(diethylaminomethyl)-4-hydroxy-2-methyl-1H-pyrimidin-6-one (PubChem CID 3489833) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 5-(diethylaminomethyl)-4-hydroxy-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(diethylaminomethyl)-4-hydroxy-2-methyl-1H-pyrimidin-6-one
PubChem CID3489833
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name5-(diethylaminomethyl)-4-hydroxy-2-methyl-1H-pyrimidin-6-one
SMILESCCN(CC)Cc1c(O)nc(C)[nH]c1=O
InChIInChI=1S/C10H17N3O2/c1-4-13(5-2)6-8-9(14)11-7(3)12-10(8)15/h4-6H2,1-3H3,(H2,11,12,14,15)
InChIKeyZWTYUDWKQNUGOL-UHFFFAOYSA-N
XLogP0.63
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(diethylaminomethyl)-4-hydroxy-2-methyl-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 5-(diethylaminomethyl)-4-hydroxy-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 5-(diethylaminomethyl)-4-hydroxy-2-methyl-1H-pyrimidin-6-one (CID 3489833) is 5-(diethylaminomethyl)-4-hydroxy-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(diethylaminomethyl)-4-hydroxy-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-(diethylaminomethyl)-4-hydroxy-2-methyl-1H-pyrimidin-6-one is CCN(CC)Cc1c(O)nc(C)[nH]c1=O.
What is the InChIKey of 5-(diethylaminomethyl)-4-hydroxy-2-methyl-1H-pyrimidin-6-one?
The InChIKey is ZWTYUDWKQNUGOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-4-13(5-2)6-8-9(14)11-7(3)12-10(8)15/h4-6H2,1-3H3,(H2,11,12,14,15).
What are the key properties of 5-(diethylaminomethyl)-4-hydroxy-2-methyl-1H-pyrimidin-6-one?
5-(diethylaminomethyl)-4-hydroxy-2-methyl-1H-pyrimidin-6-one has a molecular weight of 211.26 g/mol, XLogP of 0.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylaminomethyl)-4-hydroxy-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 3489833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).