N-(4-amino-1-methyl-2,6-dioxopyrimidin-5-ylidene)acetamide

C7H8N4O3 — CID 71303637

IUPACN-(4-amino-1-methyl-2,6-dioxopyrimidin-5-ylidene)acetamide
SMILESCC(=O)/N=C1\C(=O)N(C)C(=O)N=C1N
InChIInChI=1S/C7H8N4O3/c1-3(12)9-4-5(8)10-7(14)11(2)6(4)13/h1-2H3,(H2,8,10,14)/b9-4-
InChIKeyVTPAKQDCCJJYBJ-WTKPLQERSA-N
MW196.17 g/mol
LogP-1.08
Rot. Bonds

About N-(4-amino-1-methyl-2,6-dioxopyrimidin-5-ylidene)acetamide

N-(4-amino-1-methyl-2,6-dioxopyrimidin-5-ylidene)acetamide (PubChem CID 71303637) has the molecular formula C7H8N4O3 and a molecular weight of 196.17 g/mol. Its IUPAC name is N-(4-amino-1-methyl-2,6-dioxopyrimidin-5-ylidene)acetamide.

Molecular Properties

Compound NameN-(4-amino-1-methyl-2,6-dioxopyrimidin-5-ylidene)acetamide
PubChem CID71303637
Molecular FormulaC7H8N4O3
Molecular Weight196.17 g/mol
Exact Mass196.06
IUPAC NameN-(4-amino-1-methyl-2,6-dioxopyrimidin-5-ylidene)acetamide
SMILESCC(=O)/N=C1\C(=O)N(C)C(=O)N=C1N
InChIInChI=1S/C7H8N4O3/c1-3(12)9-4-5(8)10-7(14)11(2)6(4)13/h1-2H3,(H2,8,10,14)/b9-4-
InChIKeyVTPAKQDCCJJYBJ-WTKPLQERSA-N
XLogP-1.08
TPSA105.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.17
LogP ≤ 5-1.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

Dimethyl-1h-purine-2,6-dione
CID 18755286
9-Methyl-8-oxoguanine
CID 129846870
1-Methylpurine-2,6-dione
CID 9942236
6-Amino-3-methylpyrimidine-2,4(3H,5H)-dione
CID 23033733
9-Methylpurine-2,6,8-trione
CID 53249617
6-amino-3-propyl-5H-pyrimidine-2,4-dione
CID 57732954
1-Propylpurine-2,6-dione
CID 70421029
1-Ethylpurine-2,6-dione
CID 73200787
1,8-Dimethylpurine-2,6-dione;hydrochloride
CID 139636572
2-Amino-1,2-dimethylpurin-6-one
CID 158446721
(5-Imino-1,3-dimethyl-2,6-dioxo-1,3-diazinan-4-ylidene)cyanamide
CID 21857658
CID 45039929
CID 45039929

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-1-methyl-2,6-dioxopyrimidin-5-ylidene)acetamide?
The IUPAC name of N-(4-amino-1-methyl-2,6-dioxopyrimidin-5-ylidene)acetamide (CID 71303637) is N-(4-amino-1-methyl-2,6-dioxopyrimidin-5-ylidene)acetamide.
What is the SMILES notation for N-(4-amino-1-methyl-2,6-dioxopyrimidin-5-ylidene)acetamide?
The canonical SMILES for N-(4-amino-1-methyl-2,6-dioxopyrimidin-5-ylidene)acetamide is CC(=O)/N=C1\C(=O)N(C)C(=O)N=C1N.
What is the InChIKey of N-(4-amino-1-methyl-2,6-dioxopyrimidin-5-ylidene)acetamide?
The InChIKey is VTPAKQDCCJJYBJ-WTKPLQERSA-N. The full InChI is InChI=1S/C7H8N4O3/c1-3(12)9-4-5(8)10-7(14)11(2)6(4)13/h1-2H3,(H2,8,10,14)/b9-4-.
What are the key properties of N-(4-amino-1-methyl-2,6-dioxopyrimidin-5-ylidene)acetamide?
N-(4-amino-1-methyl-2,6-dioxopyrimidin-5-ylidene)acetamide has a molecular weight of 196.17 g/mol, XLogP of -1.08, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-1-methyl-2,6-dioxopyrimidin-5-ylidene)acetamide is sourced from PubChem (CID 71303637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).