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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Related Compounds

6-Methylamino-5-nitroisocytosine
CID 135509070
Acetamide, N-(1,4-dihydro-6-methyl-5-nitro-4-oxo-2-pyrimidinyl)-
CID 135677719
2-amino-4-(diethylamino)-5-nitroso-1H-pyrimidin-6-one
CID 135987602
2-amino-4-(ethylamino)-5-nitroso-1H-pyrimidin-6-one
CID 135987603
2-amino-5-nitroso-4-(propan-2-ylamino)-1H-pyrimidin-6-one
CID 135987607
4-(ethylamino)-2-methyl-5-nitro-1H-pyrimidin-6-one
CID 136078497
Pyrimidine, 2,4-bisdimethylamino-6-hydroxy-5-nitro-
CID 135814989
[(2-Amino-1-methyl-5-nitro-6-oxo-1,6-dihydro-4-pyrimidinyl)amino]acetaldehyde
CID 45097985
Pyrimidine, 2-amino-4-dimethylamino-6-hydroxy-5-nitro-
CID 171384016
Pyrimidine, 2-amino-4-formylmethylamino-6-hydroxy-5-nitro-
CID 171384086
Pyrimidine, 2-amino-1,6-dihydro-1-methyl-4-methylamino-5-nitro-6-oxo-
CID 171384531
N-(6-Chloro-5-nitro-4-oxo-1,4-dihydropyrimidin-2-yl)acetamide
CID 135445884

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).