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

C6H9N5O3 — CID 165347569

IUPAC2-amino-4-(ethylamino)-5-nitro-1H-pyrimidin-6-one
SMILESCCNc1nc(N)[nH]c(=O)c1[N+](=O)[O-]
InChIInChI=1S/C6H9N5O3/c1-2-8-4-3(11(13)14)5(12)10-6(7)9-4/h2H2,1H3,(H4,7,8,9,10,12)
InChIKeyCNBGNKRJFMNRMP-UHFFFAOYSA-N
MW199.17 g/mol
LogP-0.31
Rot. Bonds3

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

2-amino-4-(ethylamino)-5-nitro-1H-pyrimidin-6-one (PubChem CID 165347569) has the molecular formula C6H9N5O3 and a molecular weight of 199.17 g/mol. Its IUPAC name is 2-amino-4-(ethylamino)-5-nitro-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-(ethylamino)-5-nitro-1H-pyrimidin-6-one
PubChem CID165347569
Molecular FormulaC6H9N5O3
Molecular Weight199.17 g/mol
Exact Mass199.07
IUPAC Name2-amino-4-(ethylamino)-5-nitro-1H-pyrimidin-6-one
SMILESCCNc1nc(N)[nH]c(=O)c1[N+](=O)[O-]
InChIInChI=1S/C6H9N5O3/c1-2-8-4-3(11(13)14)5(12)10-6(7)9-4/h2H2,1H3,(H4,7,8,9,10,12)
InChIKeyCNBGNKRJFMNRMP-UHFFFAOYSA-N
XLogP-0.31
TPSA126.94 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.17
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-(ethylamino)-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-(ethylamino)-5-nitro-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-4-(ethylamino)-5-nitro-1H-pyrimidin-6-one (CID 165347569) is 2-amino-4-(ethylamino)-5-nitro-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-4-(ethylamino)-5-nitro-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-4-(ethylamino)-5-nitro-1H-pyrimidin-6-one is CCNc1nc(N)[nH]c(=O)c1[N+](=O)[O-].
What is the InChIKey of 2-amino-4-(ethylamino)-5-nitro-1H-pyrimidin-6-one?
The InChIKey is CNBGNKRJFMNRMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N5O3/c1-2-8-4-3(11(13)14)5(12)10-6(7)9-4/h2H2,1H3,(H4,7,8,9,10,12).
What are the key properties of 2-amino-4-(ethylamino)-5-nitro-1H-pyrimidin-6-one?
2-amino-4-(ethylamino)-5-nitro-1H-pyrimidin-6-one has a molecular weight of 199.17 g/mol, XLogP of -0.31, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(ethylamino)-5-nitro-1H-pyrimidin-6-one is sourced from PubChem (CID 165347569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).