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

C8H14N4O3 — CID 136975393

IUPAC5-amino-4-[2-(2-hydroxyethoxy)ethylamino]-1H-pyrimidin-6-one
SMILESNc1c(NCCOCCO)nc[nH]c1=O
InChIInChI=1S/C8H14N4O3/c9-6-7(11-5-12-8(6)14)10-1-3-15-4-2-13/h5,13H,1-4,9H2,(H2,10,11,12,14)
InChIKeyVOUZMHWUSCXYHN-UHFFFAOYSA-N
MW214.22 g/mol
LogP-1.23
Rot. Bonds6

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

5-amino-4-[2-(2-hydroxyethoxy)ethylamino]-1H-pyrimidin-6-one (PubChem CID 136975393) has the molecular formula C8H14N4O3 and a molecular weight of 214.22 g/mol. Its IUPAC name is 5-amino-4-[2-(2-hydroxyethoxy)ethylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[2-(2-hydroxyethoxy)ethylamino]-1H-pyrimidin-6-one
PubChem CID136975393
Molecular FormulaC8H14N4O3
Molecular Weight214.22 g/mol
Exact Mass214.11
IUPAC Name5-amino-4-[2-(2-hydroxyethoxy)ethylamino]-1H-pyrimidin-6-one
SMILESNc1c(NCCOCCO)nc[nH]c1=O
InChIInChI=1S/C8H14N4O3/c9-6-7(11-5-12-8(6)14)10-1-3-15-4-2-13/h5,13H,1-4,9H2,(H2,10,11,12,14)
InChIKeyVOUZMHWUSCXYHN-UHFFFAOYSA-N
XLogP-1.23
TPSA113.26 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 5-1.23
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-hydroxyethoxy)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-hydroxyethoxy)ethylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[2-(2-hydroxyethoxy)ethylamino]-1H-pyrimidin-6-one (CID 136975393) is 5-amino-4-[2-(2-hydroxyethoxy)ethylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[2-(2-hydroxyethoxy)ethylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[2-(2-hydroxyethoxy)ethylamino]-1H-pyrimidin-6-one is Nc1c(NCCOCCO)nc[nH]c1=O.
What is the InChIKey of 5-amino-4-[2-(2-hydroxyethoxy)ethylamino]-1H-pyrimidin-6-one?
The InChIKey is VOUZMHWUSCXYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O3/c9-6-7(11-5-12-8(6)14)10-1-3-15-4-2-13/h5,13H,1-4,9H2,(H2,10,11,12,14).
What are the key properties of 5-amino-4-[2-(2-hydroxyethoxy)ethylamino]-1H-pyrimidin-6-one?
5-amino-4-[2-(2-hydroxyethoxy)ethylamino]-1H-pyrimidin-6-one has a molecular weight of 214.22 g/mol, XLogP of -1.23, 6 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-hydroxyethoxy)ethylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136975393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).