5-amino-3-[2-(dimethylamino)ethyl]pyrimidin-4-one;ethane

C10H20N4O — CID 145427253

IUPAC5-amino-3-[2-(dimethylamino)ethyl]pyrimidin-4-one;ethane
SMILESCC.CN(C)CCn1cncc(N)c1=O
InChIInChI=1S/C8H14N4O.C2H6/c1-11(2)3-4-12-6-10-5-7(9)8(12)13;1-2/h5-6H,3-4,9H2,1-2H3;1-2H3
InChIKeyYYQFQYKUBLNVTR-UHFFFAOYSA-N
MW212.30 g/mol
LogP0.41
Rot. Bonds3

About 5-amino-3-[2-(dimethylamino)ethyl]pyrimidin-4-one;ethane

5-amino-3-[2-(dimethylamino)ethyl]pyrimidin-4-one;ethane (PubChem CID 145427253) has the molecular formula C10H20N4O and a molecular weight of 212.30 g/mol. Its IUPAC name is 5-amino-3-[2-(dimethylamino)ethyl]pyrimidin-4-one;ethane.

Molecular Properties

Compound Name5-amino-3-[2-(dimethylamino)ethyl]pyrimidin-4-one;ethane
PubChem CID145427253
Molecular FormulaC10H20N4O
Molecular Weight212.30 g/mol
Exact Mass212.16
IUPAC Name5-amino-3-[2-(dimethylamino)ethyl]pyrimidin-4-one;ethane
SMILESCC.CN(C)CCn1cncc(N)c1=O
InChIInChI=1S/C8H14N4O.C2H6/c1-11(2)3-4-12-6-10-5-7(9)8(12)13;1-2/h5-6H,3-4,9H2,1-2H3;1-2H3
InChIKeyYYQFQYKUBLNVTR-UHFFFAOYSA-N
XLogP0.41
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-amino-3-[2-(dimethylamino)ethyl]pyrimidin-4-one;ethane 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-(dimethylamino)ethyl]pyrimidin-4-one;ethane?
The IUPAC name of 5-amino-3-[2-(dimethylamino)ethyl]pyrimidin-4-one;ethane (CID 145427253) is 5-amino-3-[2-(dimethylamino)ethyl]pyrimidin-4-one;ethane.
What is the SMILES notation for 5-amino-3-[2-(dimethylamino)ethyl]pyrimidin-4-one;ethane?
The canonical SMILES for 5-amino-3-[2-(dimethylamino)ethyl]pyrimidin-4-one;ethane is CC.CN(C)CCn1cncc(N)c1=O.
What is the InChIKey of 5-amino-3-[2-(dimethylamino)ethyl]pyrimidin-4-one;ethane?
The InChIKey is YYQFQYKUBLNVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O.C2H6/c1-11(2)3-4-12-6-10-5-7(9)8(12)13;1-2/h5-6H,3-4,9H2,1-2H3;1-2H3.
What are the key properties of 5-amino-3-[2-(dimethylamino)ethyl]pyrimidin-4-one;ethane?
5-amino-3-[2-(dimethylamino)ethyl]pyrimidin-4-one;ethane has a molecular weight of 212.30 g/mol, XLogP of 0.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-[2-(dimethylamino)ethyl]pyrimidin-4-one;ethane is sourced from PubChem (CID 145427253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).