N,N-diethyl-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide

C11H17N3O3 — CID 84556482

IUPACN,N-diethyl-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide
SMILESCCN(CC)C(=O)c1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C11H17N3O3/c1-5-14(6-2)10(16)8-7-12(3)11(17)13(4)9(8)15/h7H,5-6H2,1-4H3
InChIKeyBHXLBPSDSKATGX-UHFFFAOYSA-N
MW239.27 g/mol
LogP-0.43
Rot. Bonds3

About N,N-diethyl-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide

N,N-diethyl-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide (PubChem CID 84556482) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is N,N-diethyl-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide
PubChem CID84556482
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC NameN,N-diethyl-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide
SMILESCCN(CC)C(=O)c1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C11H17N3O3/c1-5-14(6-2)10(16)8-7-12(3)11(17)13(4)9(8)15/h7H,5-6H2,1-4H3
InChIKeyBHXLBPSDSKATGX-UHFFFAOYSA-N
XLogP-0.43
TPSA64.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 5-0.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide?
The IUPAC name of N,N-diethyl-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide (CID 84556482) is N,N-diethyl-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide.
What is the SMILES notation for N,N-diethyl-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide?
The canonical SMILES for N,N-diethyl-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide is CCN(CC)C(=O)c1cn(C)c(=O)n(C)c1=O.
What is the InChIKey of N,N-diethyl-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide?
The InChIKey is BHXLBPSDSKATGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-5-14(6-2)10(16)8-7-12(3)11(17)13(4)9(8)15/h7H,5-6H2,1-4H3.
What are the key properties of N,N-diethyl-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide?
N,N-diethyl-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide has a molecular weight of 239.27 g/mol, XLogP of -0.43, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide is sourced from PubChem (CID 84556482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).