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

C10H14N4O3 — CID 76852021

IUPACN-(4-amino-1-butyl-2,6-dioxopyrimidin-5-ylidene)acetamide
SMILESCCCCN1C(=O)N=C(N)/C(=N/C(C)=O)C1=O
InChIInChI=1S/C10H14N4O3/c1-3-4-5-14-9(16)7(12-6(2)15)8(11)13-10(14)17/h3-5H2,1-2H3,(H2,11,13,17)/b12-7-
InChIKeyUFMSZGMXGFTDNN-GHXNOFRVSA-N
MW238.25 g/mol
LogP0.09
Rot. Bonds3

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

N-(4-amino-1-butyl-2,6-dioxopyrimidin-5-ylidene)acetamide (PubChem CID 76852021) has the molecular formula C10H14N4O3 and a molecular weight of 238.25 g/mol. Its IUPAC name is N-(4-amino-1-butyl-2,6-dioxopyrimidin-5-ylidene)acetamide.

Molecular Properties

Compound NameN-(4-amino-1-butyl-2,6-dioxopyrimidin-5-ylidene)acetamide
PubChem CID76852021
Molecular FormulaC10H14N4O3
Molecular Weight238.25 g/mol
Exact Mass238.11
IUPAC NameN-(4-amino-1-butyl-2,6-dioxopyrimidin-5-ylidene)acetamide
SMILESCCCCN1C(=O)N=C(N)/C(=N/C(C)=O)C1=O
InChIInChI=1S/C10H14N4O3/c1-3-4-5-14-9(16)7(12-6(2)15)8(11)13-10(14)17/h3-5H2,1-2H3,(H2,11,13,17)/b12-7-
InChIKeyUFMSZGMXGFTDNN-GHXNOFRVSA-N
XLogP0.09
TPSA105.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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

Dimethylpropylxanthine
CID 129735825
1,8-Dipropylpurine-2,6-dione
CID 18936627
6-amino-3-[2-(dimethylamino)ethyl]-5H-pyrimidine-2,4-dione
CID 57732949
6-amino-3-propyl-5H-pyrimidine-2,4-dione
CID 57732954
9-Butylpurine-2,6,8-trione
CID 70402910
1-Propylpurine-2,6-dione
CID 70421029
1-Ethylpurine-2,6-dione
CID 73200787
1,8-Dipropylpurine-2,6-dione;hydrochloride
CID 145732778
8-Propyl-1-prop-2-ynylpurine-2,6-dione
CID 176755429
1-Propan-2-ylpurine-2,6-dione
CID 18755244
1,3-Dipropylpurin-3-ium-2,6-dione
CID 45039100
N-(4-amino-1-methyl-2,6-dioxopyrimidin-5-ylidene)acetamide;hydrate
CID 71303636

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-1-butyl-2,6-dioxopyrimidin-5-ylidene)acetamide?
The IUPAC name of N-(4-amino-1-butyl-2,6-dioxopyrimidin-5-ylidene)acetamide (CID 76852021) is N-(4-amino-1-butyl-2,6-dioxopyrimidin-5-ylidene)acetamide.
What is the SMILES notation for N-(4-amino-1-butyl-2,6-dioxopyrimidin-5-ylidene)acetamide?
The canonical SMILES for N-(4-amino-1-butyl-2,6-dioxopyrimidin-5-ylidene)acetamide is CCCCN1C(=O)N=C(N)/C(=N/C(C)=O)C1=O.
What is the InChIKey of N-(4-amino-1-butyl-2,6-dioxopyrimidin-5-ylidene)acetamide?
The InChIKey is UFMSZGMXGFTDNN-GHXNOFRVSA-N. The full InChI is InChI=1S/C10H14N4O3/c1-3-4-5-14-9(16)7(12-6(2)15)8(11)13-10(14)17/h3-5H2,1-2H3,(H2,11,13,17)/b12-7-.
What are the key properties of N-(4-amino-1-butyl-2,6-dioxopyrimidin-5-ylidene)acetamide?
N-(4-amino-1-butyl-2,6-dioxopyrimidin-5-ylidene)acetamide has a molecular weight of 238.25 g/mol, XLogP of 0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-1-butyl-2,6-dioxopyrimidin-5-ylidene)acetamide is sourced from PubChem (CID 76852021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).