5-amino-4-(2-but-3-enoxyethylamino)-1H-pyrimidin-6-one

C10H16N4O2 — CID 136690721

IUPAC5-amino-4-(2-but-3-enoxyethylamino)-1H-pyrimidin-6-one
SMILESC=CCCOCCNc1nc[nH]c(=O)c1N
InChIInChI=1S/C10H16N4O2/c1-2-3-5-16-6-4-12-9-8(11)10(15)14-7-13-9/h2,7H,1,3-6,11H2,(H2,12,13,14,15)
InChIKeyBZNJELINHCSJFC-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.36
Rot. Bonds7

About 5-amino-4-(2-but-3-enoxyethylamino)-1H-pyrimidin-6-one

5-amino-4-(2-but-3-enoxyethylamino)-1H-pyrimidin-6-one (PubChem CID 136690721) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 5-amino-4-(2-but-3-enoxyethylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-(2-but-3-enoxyethylamino)-1H-pyrimidin-6-one
PubChem CID136690721
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name5-amino-4-(2-but-3-enoxyethylamino)-1H-pyrimidin-6-one
SMILESC=CCCOCCNc1nc[nH]c(=O)c1N
InChIInChI=1S/C10H16N4O2/c1-2-3-5-16-6-4-12-9-8(11)10(15)14-7-13-9/h2,7H,1,3-6,11H2,(H2,12,13,14,15)
InChIKeyBZNJELINHCSJFC-UHFFFAOYSA-N
XLogP0.36
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-amino-4-(2-but-3-enoxyethylamino)-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-but-3-enoxyethylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-(2-but-3-enoxyethylamino)-1H-pyrimidin-6-one (CID 136690721) is 5-amino-4-(2-but-3-enoxyethylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-(2-but-3-enoxyethylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-(2-but-3-enoxyethylamino)-1H-pyrimidin-6-one is C=CCCOCCNc1nc[nH]c(=O)c1N.
What is the InChIKey of 5-amino-4-(2-but-3-enoxyethylamino)-1H-pyrimidin-6-one?
The InChIKey is BZNJELINHCSJFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-2-3-5-16-6-4-12-9-8(11)10(15)14-7-13-9/h2,7H,1,3-6,11H2,(H2,12,13,14,15).
What are the key properties of 5-amino-4-(2-but-3-enoxyethylamino)-1H-pyrimidin-6-one?
5-amino-4-(2-but-3-enoxyethylamino)-1H-pyrimidin-6-one has a molecular weight of 224.26 g/mol, XLogP of 0.36, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(2-but-3-enoxyethylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136690721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).