2-amino-4-(2-hydroxyethylamino)-5-nitro-1H-pyrimidin-6-one

C6H9N5O4 — CID 135502015

IUPAC2-amino-4-(2-hydroxyethylamino)-5-nitro-1H-pyrimidin-6-one
SMILESNc1nc(NCCO)c([N+](=O)[O-])c(=O)[nH]1
InChIInChI=1S/C6H9N5O4/c7-6-9-4(8-1-2-12)3(11(14)15)5(13)10-6/h12H,1-2H2,(H4,7,8,9,10,13)
InChIKeyDWVWFCGZWXPWFF-UHFFFAOYSA-N
MW215.17 g/mol
LogP-1.34
Rot. Bonds4

About 2-amino-4-(2-hydroxyethylamino)-5-nitro-1H-pyrimidin-6-one

2-amino-4-(2-hydroxyethylamino)-5-nitro-1H-pyrimidin-6-one (PubChem CID 135502015) has the molecular formula C6H9N5O4 and a molecular weight of 215.17 g/mol. Its IUPAC name is 2-amino-4-(2-hydroxyethylamino)-5-nitro-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-(2-hydroxyethylamino)-5-nitro-1H-pyrimidin-6-one
PubChem CID135502015
Molecular FormulaC6H9N5O4
Molecular Weight215.17 g/mol
Exact Mass215.07
IUPAC Name2-amino-4-(2-hydroxyethylamino)-5-nitro-1H-pyrimidin-6-one
SMILESNc1nc(NCCO)c([N+](=O)[O-])c(=O)[nH]1
InChIInChI=1S/C6H9N5O4/c7-6-9-4(8-1-2-12)3(11(14)15)5(13)10-6/h12H,1-2H2,(H4,7,8,9,10,13)
InChIKeyDWVWFCGZWXPWFF-UHFFFAOYSA-N
XLogP-1.34
TPSA147.17 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.17
LogP ≤ 5-1.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-amino-4-(2-hydroxyethylamino)-5-nitro-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 2-amino-4-(2-hydroxyethylamino)-5-nitro-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-4-(2-hydroxyethylamino)-5-nitro-1H-pyrimidin-6-one (CID 135502015) is 2-amino-4-(2-hydroxyethylamino)-5-nitro-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-4-(2-hydroxyethylamino)-5-nitro-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-4-(2-hydroxyethylamino)-5-nitro-1H-pyrimidin-6-one is Nc1nc(NCCO)c([N+](=O)[O-])c(=O)[nH]1.
What is the InChIKey of 2-amino-4-(2-hydroxyethylamino)-5-nitro-1H-pyrimidin-6-one?
The InChIKey is DWVWFCGZWXPWFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N5O4/c7-6-9-4(8-1-2-12)3(11(14)15)5(13)10-6/h12H,1-2H2,(H4,7,8,9,10,13).
What are the key properties of 2-amino-4-(2-hydroxyethylamino)-5-nitro-1H-pyrimidin-6-one?
2-amino-4-(2-hydroxyethylamino)-5-nitro-1H-pyrimidin-6-one has a molecular weight of 215.17 g/mol, XLogP of -1.34, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2-hydroxyethylamino)-5-nitro-1H-pyrimidin-6-one is sourced from PubChem (CID 135502015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).