N-[4-(ethylamino)-5-nitro-6-oxo-1H-pyrimidin-2-yl]acetamide

C8H11N5O4 — CID 137084781

IUPACN-[4-(ethylamino)-5-nitro-6-oxo-1H-pyrimidin-2-yl]acetamide
SMILESCCNc1nc(NC(C)=O)[nH]c(=O)c1[N+](=O)[O-]
InChIInChI=1S/C8H11N5O4/c1-3-9-6-5(13(16)17)7(15)12-8(11-6)10-4(2)14/h3H2,1-2H3,(H3,9,10,11,12,14,15)
InChIKeyONPDNAWPVOLCPL-UHFFFAOYSA-N
MW241.21 g/mol
LogP0.07
Rot. Bonds4

About N-[4-(ethylamino)-5-nitro-6-oxo-1H-pyrimidin-2-yl]acetamide

N-[4-(ethylamino)-5-nitro-6-oxo-1H-pyrimidin-2-yl]acetamide (PubChem CID 137084781) has the molecular formula C8H11N5O4 and a molecular weight of 241.21 g/mol. Its IUPAC name is N-[4-(ethylamino)-5-nitro-6-oxo-1H-pyrimidin-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-(ethylamino)-5-nitro-6-oxo-1H-pyrimidin-2-yl]acetamide
PubChem CID137084781
Molecular FormulaC8H11N5O4
Molecular Weight241.21 g/mol
Exact Mass241.08
IUPAC NameN-[4-(ethylamino)-5-nitro-6-oxo-1H-pyrimidin-2-yl]acetamide
SMILESCCNc1nc(NC(C)=O)[nH]c(=O)c1[N+](=O)[O-]
InChIInChI=1S/C8H11N5O4/c1-3-9-6-5(13(16)17)7(15)12-8(11-6)10-4(2)14/h3H2,1-2H3,(H3,9,10,11,12,14,15)
InChIKeyONPDNAWPVOLCPL-UHFFFAOYSA-N
XLogP0.07
TPSA130.02 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.21
LogP ≤ 50.07
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'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(ethylamino)-5-nitro-6-oxo-1H-pyrimidin-2-yl]acetamide?
The IUPAC name of N-[4-(ethylamino)-5-nitro-6-oxo-1H-pyrimidin-2-yl]acetamide (CID 137084781) is N-[4-(ethylamino)-5-nitro-6-oxo-1H-pyrimidin-2-yl]acetamide.
What is the SMILES notation for N-[4-(ethylamino)-5-nitro-6-oxo-1H-pyrimidin-2-yl]acetamide?
The canonical SMILES for N-[4-(ethylamino)-5-nitro-6-oxo-1H-pyrimidin-2-yl]acetamide is CCNc1nc(NC(C)=O)[nH]c(=O)c1[N+](=O)[O-].
What is the InChIKey of N-[4-(ethylamino)-5-nitro-6-oxo-1H-pyrimidin-2-yl]acetamide?
The InChIKey is ONPDNAWPVOLCPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O4/c1-3-9-6-5(13(16)17)7(15)12-8(11-6)10-4(2)14/h3H2,1-2H3,(H3,9,10,11,12,14,15).
What are the key properties of N-[4-(ethylamino)-5-nitro-6-oxo-1H-pyrimidin-2-yl]acetamide?
N-[4-(ethylamino)-5-nitro-6-oxo-1H-pyrimidin-2-yl]acetamide has a molecular weight of 241.21 g/mol, XLogP of 0.07, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(ethylamino)-5-nitro-6-oxo-1H-pyrimidin-2-yl]acetamide is sourced from PubChem (CID 137084781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).