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

C13H22N4O3 — CID 60963240

IUPACN-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methyl]-N-methyl-4-(methylamino)butanamide
SMILESCNCCCC(=O)N(C)Cc1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C13H22N4O3/c1-14-7-5-6-11(18)15(2)8-10-9-16(3)13(20)17(4)12(10)19/h9,14H,5-8H2,1-4H3
InChIKeyKLUFUJKVZHMBFY-UHFFFAOYSA-N
MW282.34 g/mol
LogP-0.96
Rot. Bonds6

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

N-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methyl]-N-methyl-4-(methylamino)butanamide (PubChem CID 60963240) has the molecular formula C13H22N4O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is N-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methyl]-N-methyl-4-(methylamino)butanamide.

Molecular Properties

Compound NameN-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methyl]-N-methyl-4-(methylamino)butanamide
PubChem CID60963240
Molecular FormulaC13H22N4O3
Molecular Weight282.34 g/mol
Exact Mass282.17
IUPAC NameN-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methyl]-N-methyl-4-(methylamino)butanamide
SMILESCNCCCC(=O)N(C)Cc1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C13H22N4O3/c1-14-7-5-6-11(18)15(2)8-10-9-16(3)13(20)17(4)12(10)19/h9,14H,5-8H2,1-4H3
InChIKeyKLUFUJKVZHMBFY-UHFFFAOYSA-N
XLogP-0.96
TPSA76.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 5-0.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methyl]-N-methyl-4-(methylamino)butanamide?
The IUPAC name of N-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methyl]-N-methyl-4-(methylamino)butanamide (CID 60963240) is N-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methyl]-N-methyl-4-(methylamino)butanamide.
What is the SMILES notation for N-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methyl]-N-methyl-4-(methylamino)butanamide?
The canonical SMILES for N-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methyl]-N-methyl-4-(methylamino)butanamide is CNCCCC(=O)N(C)Cc1cn(C)c(=O)n(C)c1=O.
What is the InChIKey of N-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methyl]-N-methyl-4-(methylamino)butanamide?
The InChIKey is KLUFUJKVZHMBFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3/c1-14-7-5-6-11(18)15(2)8-10-9-16(3)13(20)17(4)12(10)19/h9,14H,5-8H2,1-4H3.
What are the key properties of N-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methyl]-N-methyl-4-(methylamino)butanamide?
N-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methyl]-N-methyl-4-(methylamino)butanamide has a molecular weight of 282.34 g/mol, XLogP of -0.96, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methyl]-N-methyl-4-(methylamino)butanamide is sourced from PubChem (CID 60963240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).