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

C14H24N4O3 — CID 65227199

IUPAC2-(aminomethyl)-N-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methyl]-N-methylpentanamide
SMILESCCCC(CN)C(=O)N(C)Cc1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C14H24N4O3/c1-5-6-10(7-15)12(19)16(2)8-11-9-17(3)14(21)18(4)13(11)20/h9-10H,5-8,15H2,1-4H3
InChIKeyQBZYPWOTJDLMPE-UHFFFAOYSA-N
MW296.37 g/mol
LogP-0.58
Rot. Bonds6

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

2-(aminomethyl)-N-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methyl]-N-methylpentanamide (PubChem CID 65227199) has the molecular formula C14H24N4O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methyl]-N-methylpentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methyl]-N-methylpentanamide
PubChem CID65227199
Molecular FormulaC14H24N4O3
Molecular Weight296.37 g/mol
Exact Mass296.18
IUPAC Name2-(aminomethyl)-N-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methyl]-N-methylpentanamide
SMILESCCCC(CN)C(=O)N(C)Cc1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C14H24N4O3/c1-5-6-10(7-15)12(19)16(2)8-11-9-17(3)14(21)18(4)13(11)20/h9-10H,5-8,15H2,1-4H3
InChIKeyQBZYPWOTJDLMPE-UHFFFAOYSA-N
XLogP-0.58
TPSA90.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 5-0.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(aminomethyl)-N-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methyl]-N-methylpentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(((4-Aminobutyl)amino)methyl)-2,4(1H,3H)-pyrimidinedione
CID 188337
1-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)-N-ethyl-3-piperidinecarboxamide
CID 53010405
1-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-N-propylpiperidine-3-carboxamide
CID 53010406
4-cyclohexyl-N-[(1-ethyl-2,4-dioxopyrimidin-5-yl)methyl]butanamide
CID 136557638
5-(Dihexylaminomethyl)uracil
CID 21625651
1-(5-Aminopentyl)thymine
CID 21791485
1-[3-[3-(3-Aminopropylamino)propylamino]propyl]-5-methylpyrimidine-2,4-dione
CID 70682145
5-[[3-(dimethylamino)propylamino]methyl]-1H-pyrimidine-2,4-dione;hydrochloride
CID 54611414
azane;N-hexyl-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 22066191
5-[[5-[(2,4-dioxo-1H-pyrimidin-5-yl)methylamino]pentylamino]methyl]-1H-pyrimidine-2,4-dione
CID 51039859
5-Methyl-1-(5-methylhexyl)pyrimidine-2,4-dione
CID 59434697
5-methyl-3-[(2S)-2-methylbutyl]-1H-pyrimidine-2,4-dione
CID 117668480

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methyl]-N-methylpentanamide?
The IUPAC name of 2-(aminomethyl)-N-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methyl]-N-methylpentanamide (CID 65227199) is 2-(aminomethyl)-N-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methyl]-N-methylpentanamide.
What is the SMILES notation for 2-(aminomethyl)-N-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methyl]-N-methylpentanamide?
The canonical SMILES for 2-(aminomethyl)-N-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methyl]-N-methylpentanamide is CCCC(CN)C(=O)N(C)Cc1cn(C)c(=O)n(C)c1=O.
What is the InChIKey of 2-(aminomethyl)-N-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methyl]-N-methylpentanamide?
The InChIKey is QBZYPWOTJDLMPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3/c1-5-6-10(7-15)12(19)16(2)8-11-9-17(3)14(21)18(4)13(11)20/h9-10H,5-8,15H2,1-4H3.
What are the key properties of 2-(aminomethyl)-N-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methyl]-N-methylpentanamide?
2-(aminomethyl)-N-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methyl]-N-methylpentanamide has a molecular weight of 296.37 g/mol, XLogP of -0.58, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methyl]-N-methylpentanamide is sourced from PubChem (CID 65227199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).