2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylamino]-N,N-dimethylacetamide

C11H18N4O3 — CID 43664954

IUPAC2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylamino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CNCc1cc(=O)n(C)c(=O)n1C
InChIInChI=1S/C11H18N4O3/c1-13(2)10(17)7-12-6-8-5-9(16)15(4)11(18)14(8)3/h5,12H,6-7H2,1-4H3
InChIKeyGXAHGPOUHQUIEW-UHFFFAOYSA-N
MW254.29 g/mol
LogP-1.74
Rot. Bonds4

About 2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylamino]-N,N-dimethylacetamide

2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylamino]-N,N-dimethylacetamide (PubChem CID 43664954) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylamino]-N,N-dimethylacetamide
PubChem CID43664954
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Name2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylamino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CNCc1cc(=O)n(C)c(=O)n1C
InChIInChI=1S/C11H18N4O3/c1-13(2)10(17)7-12-6-8-5-9(16)15(4)11(18)14(8)3/h5,12H,6-7H2,1-4H3
InChIKeyGXAHGPOUHQUIEW-UHFFFAOYSA-N
XLogP-1.74
TPSA76.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 5-1.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylamino]-N,N-dimethylacetamide 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 2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylamino]-N,N-dimethylacetamide (CID 43664954) is 2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylamino]-N,N-dimethylacetamide is CN(C)C(=O)CNCc1cc(=O)n(C)c(=O)n1C.
What is the InChIKey of 2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylamino]-N,N-dimethylacetamide?
The InChIKey is GXAHGPOUHQUIEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-13(2)10(17)7-12-6-8-5-9(16)15(4)11(18)14(8)3/h5,12H,6-7H2,1-4H3.
What are the key properties of 2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylamino]-N,N-dimethylacetamide?
2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylamino]-N,N-dimethylacetamide has a molecular weight of 254.29 g/mol, XLogP of -1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 43664954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).