5-amino-3-[2-(diethylamino)ethyl]pyrimidin-4-one

C10H18N4O — CID 138585702

IUPAC5-amino-3-[2-(diethylamino)ethyl]pyrimidin-4-one
SMILESCCN(CC)CCn1cncc(N)c1=O
InChIInChI=1S/C10H18N4O/c1-3-13(4-2)5-6-14-8-12-7-9(11)10(14)15/h7-8H,3-6,11H2,1-2H3
InChIKeyMZBJLWXQOVMRLF-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.17
Rot. Bonds5

About 5-amino-3-[2-(diethylamino)ethyl]pyrimidin-4-one

5-amino-3-[2-(diethylamino)ethyl]pyrimidin-4-one (PubChem CID 138585702) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 5-amino-3-[2-(diethylamino)ethyl]pyrimidin-4-one.

Molecular Properties

Compound Name5-amino-3-[2-(diethylamino)ethyl]pyrimidin-4-one
PubChem CID138585702
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name5-amino-3-[2-(diethylamino)ethyl]pyrimidin-4-one
SMILESCCN(CC)CCn1cncc(N)c1=O
InChIInChI=1S/C10H18N4O/c1-3-13(4-2)5-6-14-8-12-7-9(11)10(14)15/h7-8H,3-6,11H2,1-2H3
InChIKeyMZBJLWXQOVMRLF-UHFFFAOYSA-N
XLogP0.17
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-amino-3-[2-(diethylamino)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 5-amino-3-[2-(diethylamino)ethyl]pyrimidin-4-one?
The IUPAC name of 5-amino-3-[2-(diethylamino)ethyl]pyrimidin-4-one (CID 138585702) is 5-amino-3-[2-(diethylamino)ethyl]pyrimidin-4-one.
What is the SMILES notation for 5-amino-3-[2-(diethylamino)ethyl]pyrimidin-4-one?
The canonical SMILES for 5-amino-3-[2-(diethylamino)ethyl]pyrimidin-4-one is CCN(CC)CCn1cncc(N)c1=O.
What is the InChIKey of 5-amino-3-[2-(diethylamino)ethyl]pyrimidin-4-one?
The InChIKey is MZBJLWXQOVMRLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-3-13(4-2)5-6-14-8-12-7-9(11)10(14)15/h7-8H,3-6,11H2,1-2H3.
What are the key properties of 5-amino-3-[2-(diethylamino)ethyl]pyrimidin-4-one?
5-amino-3-[2-(diethylamino)ethyl]pyrimidin-4-one has a molecular weight of 210.28 g/mol, XLogP of 0.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-[2-(diethylamino)ethyl]pyrimidin-4-one is sourced from PubChem (CID 138585702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).