N-[2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methylamino]ethyl]acetamide

C11H18N4O3 — CID 28710634

IUPACN-[2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methylamino]ethyl]acetamide
SMILESCC(=O)NCCNCc1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C11H18N4O3/c1-8(16)13-5-4-12-6-9-7-14(2)11(18)15(3)10(9)17/h7,12H,4-6H2,1-3H3,(H,13,16)
InChIKeyAUDMHZZDSYCMCY-UHFFFAOYSA-N
MW254.29 g/mol
LogP-1.69
Rot. Bonds5

About N-[2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methylamino]ethyl]acetamide

N-[2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methylamino]ethyl]acetamide (PubChem CID 28710634) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is N-[2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methylamino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methylamino]ethyl]acetamide
PubChem CID28710634
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC NameN-[2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methylamino]ethyl]acetamide
SMILESCC(=O)NCCNCc1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C11H18N4O3/c1-8(16)13-5-4-12-6-9-7-14(2)11(18)15(3)10(9)17/h7,12H,4-6H2,1-3H3,(H,13,16)
InChIKeyAUDMHZZDSYCMCY-UHFFFAOYSA-N
XLogP-1.69
TPSA85.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 5-1.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methylamino]acetic acid
CID 43135043
5-[[3-(2-methoxyethoxy)propylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 28722028
5-[[(2-chlorophenyl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 28614149
5-[(3-cyclopentylpropylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 103625241
tert-butyl 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methylamino]acetate
CID 81463235
1,3-dimethyl-5-[[(4-methylphenyl)methylamino]methyl]pyrimidine-2,4-dione
CID 28618755
5-[(cyclohexylmethylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 43371413
1,3-dimethyl-5-[(pyridin-4-ylmethylamino)methyl]pyrimidine-2,4-dione
CID 28670574
1,3-dimethyl-5-[[3-(4-methylpiperidin-1-yl)propylamino]methyl]pyrimidine-2,4-dione
CID 119126550
5-[(2,2-dimethylhydrazinyl)methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 83004176
5-[[[(2R)-1-hydroxybutan-2-yl]amino]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 28724674
5-[[3-[cyclohexyl(methyl)amino]propylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 119126605

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methylamino]ethyl]acetamide?
The IUPAC name of N-[2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methylamino]ethyl]acetamide (CID 28710634) is N-[2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methylamino]ethyl]acetamide.
What is the SMILES notation for N-[2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methylamino]ethyl]acetamide?
The canonical SMILES for N-[2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methylamino]ethyl]acetamide is CC(=O)NCCNCc1cn(C)c(=O)n(C)c1=O.
What is the InChIKey of N-[2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methylamino]ethyl]acetamide?
The InChIKey is AUDMHZZDSYCMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-8(16)13-5-4-12-6-9-7-14(2)11(18)15(3)10(9)17/h7,12H,4-6H2,1-3H3,(H,13,16).
What are the key properties of N-[2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methylamino]ethyl]acetamide?
N-[2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methylamino]ethyl]acetamide has a molecular weight of 254.29 g/mol, XLogP of -1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methylamino]ethyl]acetamide is sourced from PubChem (CID 28710634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).