5-(diethylamino)-1H-pyrimidine-2,4-dione

C8H13N3O2 — CID 3487741

IUPAC5-(diethylamino)-1H-pyrimidine-2,4-dione
SMILESCCN(CC)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C8H13N3O2/c1-3-11(4-2)6-5-9-8(13)10-7(6)12/h5H,3-4H2,1-2H3,(H2,9,10,12,13)
InChIKeyQJNAQOWKHVJJHZ-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.09
Rot. Bonds3

About 5-(diethylamino)-1H-pyrimidine-2,4-dione

5-(diethylamino)-1H-pyrimidine-2,4-dione (PubChem CID 3487741) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 5-(diethylamino)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(diethylamino)-1H-pyrimidine-2,4-dione
PubChem CID3487741
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name5-(diethylamino)-1H-pyrimidine-2,4-dione
SMILESCCN(CC)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C8H13N3O2/c1-3-11(4-2)6-5-9-8(13)10-7(6)12/h5H,3-4H2,1-2H3,(H2,9,10,12,13)
InChIKeyQJNAQOWKHVJJHZ-UHFFFAOYSA-N
XLogP-0.09
TPSA68.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-(diethylamino)-1H-pyrimidine-2,4-dione 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-(diethylamino)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-(diethylamino)-1H-pyrimidine-2,4-dione (CID 3487741) is 5-(diethylamino)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-(diethylamino)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-(diethylamino)-1H-pyrimidine-2,4-dione is CCN(CC)c1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of 5-(diethylamino)-1H-pyrimidine-2,4-dione?
The InChIKey is QJNAQOWKHVJJHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-3-11(4-2)6-5-9-8(13)10-7(6)12/h5H,3-4H2,1-2H3,(H2,9,10,12,13).
What are the key properties of 5-(diethylamino)-1H-pyrimidine-2,4-dione?
5-(diethylamino)-1H-pyrimidine-2,4-dione has a molecular weight of 183.21 g/mol, XLogP of -0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylamino)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 3487741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).