6-amino-1-hexyl-5-nitrosopyrimidine-2,4-dione

C10H16N4O3 — CID 10331856

IUPAC6-amino-1-hexyl-5-nitrosopyrimidine-2,4-dione
SMILESCCCCCCn1c(N)c(N=O)c(=O)[nH]c1=O
InChIInChI=1S/C10H16N4O3/c1-2-3-4-5-6-14-8(11)7(13-17)9(15)12-10(14)16/h2-6,11H2,1H3,(H,12,15,16)
InChIKeyRDPMRIRGKYIJNC-UHFFFAOYSA-N
MW240.26 g/mol
LogP1.10
Rot. Bonds6

About 6-amino-1-hexyl-5-nitrosopyrimidine-2,4-dione

6-amino-1-hexyl-5-nitrosopyrimidine-2,4-dione (PubChem CID 10331856) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 6-amino-1-hexyl-5-nitrosopyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-hexyl-5-nitrosopyrimidine-2,4-dione
PubChem CID10331856
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name6-amino-1-hexyl-5-nitrosopyrimidine-2,4-dione
SMILESCCCCCCn1c(N)c(N=O)c(=O)[nH]c1=O
InChIInChI=1S/C10H16N4O3/c1-2-3-4-5-6-14-8(11)7(13-17)9(15)12-10(14)16/h2-6,11H2,1H3,(H,12,15,16)
InChIKeyRDPMRIRGKYIJNC-UHFFFAOYSA-N
XLogP1.10
TPSA110.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-amino-1-hexyl-5-nitrosopyrimidine-2,4-dione 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

6-amino-1-[3-(4-methoxyphenyl)propyl]-5-nitrosopyrimidine-2,4-dione
CID 19699164
6-hydroxy-5-methyl-1-octylpyrimidine-2,4-dione
CID 112601536
6-amino-1-tetradecylpyrimidine-2,4-dione
CID 22924826
6-amino-1-butyl-5-[methyl(2-methylpropyl)amino]pyrimidine-2,4-dione
CID 47281812
1-decyl-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 115948792
6-amino-1-butyl-5-[3-hydroxypropyl(methyl)amino]pyrimidine-2,4-dione
CID 47150405
N-[(E)-(1-hexyl-6-hydroxy-2,4-dioxopyrimidin-5-yl)methylideneamino]heptanamide
CID 135717455
2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)amino]propanamide
CID 60702032
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butylpentanamide
CID 31491993
5-amino-2-oxo-3-pentyl-1H-imidazole-4-carboxylic acid
CID 82470977
N-[(E)-(1-butyl-6-hydroxy-2,4-dioxopyrimidin-5-yl)methylideneamino]heptanamide
CID 135440854
6-amino-5-(hexylamino)-1-(2-methoxyethyl)pyrimidine-2,4-dione
CID 60649236

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-hexyl-5-nitrosopyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-hexyl-5-nitrosopyrimidine-2,4-dione (CID 10331856) is 6-amino-1-hexyl-5-nitrosopyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-hexyl-5-nitrosopyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-hexyl-5-nitrosopyrimidine-2,4-dione is CCCCCCn1c(N)c(N=O)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-1-hexyl-5-nitrosopyrimidine-2,4-dione?
The InChIKey is RDPMRIRGKYIJNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-2-3-4-5-6-14-8(11)7(13-17)9(15)12-10(14)16/h2-6,11H2,1H3,(H,12,15,16).
What are the key properties of 6-amino-1-hexyl-5-nitrosopyrimidine-2,4-dione?
6-amino-1-hexyl-5-nitrosopyrimidine-2,4-dione has a molecular weight of 240.26 g/mol, XLogP of 1.10, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-hexyl-5-nitrosopyrimidine-2,4-dione is sourced from PubChem (CID 10331856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).