N,N-diethyl-2,4-dioxo-1H-pyrimidine-6-carboxamide

C9H13N3O3 — CID 60635867

IUPACN,N-diethyl-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESCCN(CC)C(=O)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C9H13N3O3/c1-3-12(4-2)8(14)6-5-7(13)11-9(15)10-6/h5H,3-4H2,1-2H3,(H2,10,11,13,15)
InChIKeyMTLAFOSSXYBRMS-UHFFFAOYSA-N
MW211.22 g/mol
LogP-0.45
Rot. Bonds3

About N,N-diethyl-2,4-dioxo-1H-pyrimidine-6-carboxamide

N,N-diethyl-2,4-dioxo-1H-pyrimidine-6-carboxamide (PubChem CID 60635867) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is N,N-diethyl-2,4-dioxo-1H-pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-2,4-dioxo-1H-pyrimidine-6-carboxamide
PubChem CID60635867
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC NameN,N-diethyl-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESCCN(CC)C(=O)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C9H13N3O3/c1-3-12(4-2)8(14)6-5-7(13)11-9(15)10-6/h5H,3-4H2,1-2H3,(H2,10,11,13,15)
InChIKeyMTLAFOSSXYBRMS-UHFFFAOYSA-N
XLogP-0.45
TPSA86.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N,N-diethyl-2,4-dioxo-1H-pyrimidine-6-carboxamide 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 N,N-diethyl-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The IUPAC name of N,N-diethyl-2,4-dioxo-1H-pyrimidine-6-carboxamide (CID 60635867) is N,N-diethyl-2,4-dioxo-1H-pyrimidine-6-carboxamide.
What is the SMILES notation for N,N-diethyl-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The canonical SMILES for N,N-diethyl-2,4-dioxo-1H-pyrimidine-6-carboxamide is CCN(CC)C(=O)c1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of N,N-diethyl-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The InChIKey is MTLAFOSSXYBRMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-3-12(4-2)8(14)6-5-7(13)11-9(15)10-6/h5H,3-4H2,1-2H3,(H2,10,11,13,15).
What are the key properties of N,N-diethyl-2,4-dioxo-1H-pyrimidine-6-carboxamide?
N,N-diethyl-2,4-dioxo-1H-pyrimidine-6-carboxamide has a molecular weight of 211.22 g/mol, XLogP of -0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2,4-dioxo-1H-pyrimidine-6-carboxamide is sourced from PubChem (CID 60635867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).