5-amino-4-[2-(2-methoxyethylamino)ethylamino]-1H-pyrimidin-6-one

C9H17N5O2 — CID 136979044

IUPAC5-amino-4-[2-(2-methoxyethylamino)ethylamino]-1H-pyrimidin-6-one
SMILESCOCCNCCNc1nc[nH]c(=O)c1N
InChIInChI=1S/C9H17N5O2/c1-16-5-4-11-2-3-12-8-7(10)9(15)14-6-13-8/h6,11H,2-5,10H2,1H3,(H2,12,13,14,15)
InChIKeyGGJKJUXBQASWKK-UHFFFAOYSA-N
MW227.27 g/mol
LogP-1.00
Rot. Bonds7

About 5-amino-4-[2-(2-methoxyethylamino)ethylamino]-1H-pyrimidin-6-one

5-amino-4-[2-(2-methoxyethylamino)ethylamino]-1H-pyrimidin-6-one (PubChem CID 136979044) has the molecular formula C9H17N5O2 and a molecular weight of 227.27 g/mol. Its IUPAC name is 5-amino-4-[2-(2-methoxyethylamino)ethylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[2-(2-methoxyethylamino)ethylamino]-1H-pyrimidin-6-one
PubChem CID136979044
Molecular FormulaC9H17N5O2
Molecular Weight227.27 g/mol
Exact Mass227.14
IUPAC Name5-amino-4-[2-(2-methoxyethylamino)ethylamino]-1H-pyrimidin-6-one
SMILESCOCCNCCNc1nc[nH]c(=O)c1N
InChIInChI=1S/C9H17N5O2/c1-16-5-4-11-2-3-12-8-7(10)9(15)14-6-13-8/h6,11H,2-5,10H2,1H3,(H2,12,13,14,15)
InChIKeyGGJKJUXBQASWKK-UHFFFAOYSA-N
XLogP-1.00
TPSA105.06 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 5-1.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-amino-4-[2-(2-methoxyethylamino)ethylamino]-1H-pyrimidin-6-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[2-(2-methoxyethylamino)ethylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[2-(2-methoxyethylamino)ethylamino]-1H-pyrimidin-6-one (CID 136979044) is 5-amino-4-[2-(2-methoxyethylamino)ethylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[2-(2-methoxyethylamino)ethylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[2-(2-methoxyethylamino)ethylamino]-1H-pyrimidin-6-one is COCCNCCNc1nc[nH]c(=O)c1N.
What is the InChIKey of 5-amino-4-[2-(2-methoxyethylamino)ethylamino]-1H-pyrimidin-6-one?
The InChIKey is GGJKJUXBQASWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O2/c1-16-5-4-11-2-3-12-8-7(10)9(15)14-6-13-8/h6,11H,2-5,10H2,1H3,(H2,12,13,14,15).
What are the key properties of 5-amino-4-[2-(2-methoxyethylamino)ethylamino]-1H-pyrimidin-6-one?
5-amino-4-[2-(2-methoxyethylamino)ethylamino]-1H-pyrimidin-6-one has a molecular weight of 227.27 g/mol, XLogP of -1.00, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[2-(2-methoxyethylamino)ethylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136979044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).