2-[(5-nitropyrimidin-2-yl)amino]propanamide

C7H9N5O3 — CID 61147205

IUPAC2-[(5-nitropyrimidin-2-yl)amino]propanamide
SMILESCC(Nc1ncc([N+](=O)[O-])cn1)C(N)=O
InChIInChI=1S/C7H9N5O3/c1-4(6(8)13)11-7-9-2-5(3-10-7)12(14)15/h2-4H,1H3,(H2,8,13)(H,9,10,11)
InChIKeyWHEUGFYHZPPFDU-UHFFFAOYSA-N
MW211.18 g/mol
LogP-0.33
Rot. Bonds4

About 2-[(5-nitropyrimidin-2-yl)amino]propanamide

2-[(5-nitropyrimidin-2-yl)amino]propanamide (PubChem CID 61147205) has the molecular formula C7H9N5O3 and a molecular weight of 211.18 g/mol. Its IUPAC name is 2-[(5-nitropyrimidin-2-yl)amino]propanamide.

Molecular Properties

Compound Name2-[(5-nitropyrimidin-2-yl)amino]propanamide
PubChem CID61147205
Molecular FormulaC7H9N5O3
Molecular Weight211.18 g/mol
Exact Mass211.07
IUPAC Name2-[(5-nitropyrimidin-2-yl)amino]propanamide
SMILESCC(Nc1ncc([N+](=O)[O-])cn1)C(N)=O
InChIInChI=1S/C7H9N5O3/c1-4(6(8)13)11-7-9-2-5(3-10-7)12(14)15/h2-4H,1H3,(H2,8,13)(H,9,10,11)
InChIKeyWHEUGFYHZPPFDU-UHFFFAOYSA-N
XLogP-0.33
TPSA124.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.18
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
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

2-[(5-nitro-2-pyridinyl)amino]propanamide
CID 43402589
N-(3-methylbutan-2-yl)-5-nitropyrimidin-2-amine
CID 61146099
2-(4-nitroanilino)propanamide
CID 43400796
2-hydroxy-3-[(5-nitropyrimidin-2-yl)amino]propanamide
CID 106170845
(2S,3S)-3-methyl-2-[(5-nitropyrimidin-2-yl)amino]pentanoic acid
CID 122050395
2-[4-nitro-2-(trifluoromethyl)anilino]propanamide
CID 54935716
5-nitro-N-[1-(oxolan-2-yl)ethyl]pyrimidin-2-amine
CID 61147056
2-[(5-bromo-3-nitro-2-pyridinyl)amino]propanamide
CID 61229226
N-(1-methoxy-3-methylbutan-2-yl)-5-nitropyrimidin-2-amine
CID 65048694
2-[1-[(5-nitropyrimidin-2-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66372600
2-[(1-amino-1-oxopropan-2-yl)amino]-5-nitropyridine-4-carboxylic acid
CID 114089839
5-nitro-N-octan-2-ylpyrimidin-2-amine
CID 54958890

Frequently Asked Questions

What is the IUPAC name of 2-[(5-nitropyrimidin-2-yl)amino]propanamide?
The IUPAC name of 2-[(5-nitropyrimidin-2-yl)amino]propanamide (CID 61147205) is 2-[(5-nitropyrimidin-2-yl)amino]propanamide.
What is the SMILES notation for 2-[(5-nitropyrimidin-2-yl)amino]propanamide?
The canonical SMILES for 2-[(5-nitropyrimidin-2-yl)amino]propanamide is CC(Nc1ncc([N+](=O)[O-])cn1)C(N)=O.
What is the InChIKey of 2-[(5-nitropyrimidin-2-yl)amino]propanamide?
The InChIKey is WHEUGFYHZPPFDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5O3/c1-4(6(8)13)11-7-9-2-5(3-10-7)12(14)15/h2-4H,1H3,(H2,8,13)(H,9,10,11).
What are the key properties of 2-[(5-nitropyrimidin-2-yl)amino]propanamide?
2-[(5-nitropyrimidin-2-yl)amino]propanamide has a molecular weight of 211.18 g/mol, XLogP of -0.33, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-nitropyrimidin-2-yl)amino]propanamide is sourced from PubChem (CID 61147205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).