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

C11H18N4O3 — CID 60863950

IUPAC4-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylamino]butanamide
SMILESCn1c(CNCCCC(N)=O)cc(=O)n(C)c1=O
InChIInChI=1S/C11H18N4O3/c1-14-8(6-10(17)15(2)11(14)18)7-13-5-3-4-9(12)16/h6,13H,3-5,7H2,1-2H3,(H2,12,16)
InChIKeyHIXLYCBTNGAOEL-UHFFFAOYSA-N
MW254.29 g/mol
LogP-1.56
Rot. Bonds6

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

4-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylamino]butanamide (PubChem CID 60863950) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 4-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylamino]butanamide.

Molecular Properties

Compound Name4-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylamino]butanamide
PubChem CID60863950
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Name4-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylamino]butanamide
SMILESCn1c(CNCCCC(N)=O)cc(=O)n(C)c1=O
InChIInChI=1S/C11H18N4O3/c1-14-8(6-10(17)15(2)11(14)18)7-13-5-3-4-9(12)16/h6,13H,3-5,7H2,1-2H3,(H2,12,16)
InChIKeyHIXLYCBTNGAOEL-UHFFFAOYSA-N
XLogP-1.56
TPSA99.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 5-1.56
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

Uracil, 3-butyl-6-methyl-
CID 70528
Uracil, 6-methyl-4-propyl-
CID 165610
Butyramide, 2-(dimethylamino)-N-(2,4-dioxo-1,3,6-trimethyl-1,2,3,4-tetrahydro-5-pyrimidinyl)-
CID 57938
N-tert-butyl-2-(3-butyl-4-methyl-2,6-dioxopyrimidin-1-yl)acetamide
CID 137640026
N-butyl-2-(4-methyl-2,6-dioxo-3-pentylpyrimidin-1-yl)acetamide
CID 137640869
1-Butyl-6-methyluracil
CID 12703038
N-((2,6-Dioxo-1,2,3,6-tetrahydropyrimidin-4-YL)methyl)acetamide
CID 21793940
N-[(2,6-Dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]butanamide
CID 21793941
N-{1-[2-(4-methyl-2,6-dioxo-3,6-dihydropyrimidin-1(2H)-yl)ethyl]pyrrolidin-3-yl}acetamide
CID 91838023
N~1~,N~2~-dimethyl-N~2~-[2-(4-methyl-2,6-dioxo-3,6-dihydropyrimidin-1(2H)-yl)ethyl]glycinamide
CID 91842553
4-[2,4-dioxo-6-(trifluoromethyl)-1H-pyrimidin-3-yl]-2-(methylamino)butanamide
CID 153813244
6-methyl-1-propyl-2,4(1H,3H)-pyrimidinedione
CID 1548093

Frequently Asked Questions

What is the IUPAC name of 4-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylamino]butanamide?
The IUPAC name of 4-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylamino]butanamide (CID 60863950) is 4-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylamino]butanamide.
What is the SMILES notation for 4-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylamino]butanamide?
The canonical SMILES for 4-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylamino]butanamide is Cn1c(CNCCCC(N)=O)cc(=O)n(C)c1=O.
What is the InChIKey of 4-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylamino]butanamide?
The InChIKey is HIXLYCBTNGAOEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-14-8(6-10(17)15(2)11(14)18)7-13-5-3-4-9(12)16/h6,13H,3-5,7H2,1-2H3,(H2,12,16).
What are the key properties of 4-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylamino]butanamide?
4-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylamino]butanamide has a molecular weight of 254.29 g/mol, XLogP of -1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylamino]butanamide is sourced from PubChem (CID 60863950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).