2-hydroxy-3-[(5-nitropyrimidin-2-yl)amino]propanamide

C7H9N5O4 — CID 106170845

IUPAC2-hydroxy-3-[(5-nitropyrimidin-2-yl)amino]propanamide
SMILESNC(=O)C(O)CNc1ncc([N+](=O)[O-])cn1
InChIInChI=1S/C7H9N5O4/c8-6(14)5(13)3-11-7-9-1-4(2-10-7)12(15)16/h1-2,5,13H,3H2,(H2,8,14)(H,9,10,11)
InChIKeyCUEDORDFOWSRID-UHFFFAOYSA-N
MW227.18 g/mol
LogP-1.36
Rot. Bonds5

About 2-hydroxy-3-[(5-nitropyrimidin-2-yl)amino]propanamide

2-hydroxy-3-[(5-nitropyrimidin-2-yl)amino]propanamide (PubChem CID 106170845) has the molecular formula C7H9N5O4 and a molecular weight of 227.18 g/mol. Its IUPAC name is 2-hydroxy-3-[(5-nitropyrimidin-2-yl)amino]propanamide.

Molecular Properties

Compound Name2-hydroxy-3-[(5-nitropyrimidin-2-yl)amino]propanamide
PubChem CID106170845
Molecular FormulaC7H9N5O4
Molecular Weight227.18 g/mol
Exact Mass227.07
IUPAC Name2-hydroxy-3-[(5-nitropyrimidin-2-yl)amino]propanamide
SMILESNC(=O)C(O)CNc1ncc([N+](=O)[O-])cn1
InChIInChI=1S/C7H9N5O4/c8-6(14)5(13)3-11-7-9-1-4(2-10-7)12(15)16/h1-2,5,13H,3H2,(H2,8,14)(H,9,10,11)
InChIKeyCUEDORDFOWSRID-UHFFFAOYSA-N
XLogP-1.36
TPSA144.27 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.18
LogP ≤ 5-1.36
H-Bond Donors ≤ 53
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'}

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Related Compounds

3-methyl-1-[(5-nitropyrimidin-2-yl)amino]butan-2-ol
CID 104626095
1,1,1-trifluoro-3-[(5-nitropyrimidin-2-yl)amino]propan-2-ol
CID 113434396
3-methyl-4-[(5-nitropyrimidin-2-yl)amino]butan-1-ol
CID 66107756
2-hydroxy-3-[(5-nitro-1,3-thiazol-2-yl)amino]propanamide
CID 106171071
2-[(5-nitropyrimidin-2-yl)amino]propanamide
CID 61147205
N,2-dimethyl-N'-(5-nitropyrimidin-2-yl)propane-1,3-diamine
CID 115303176
3-(3-amino-5-nitroanilino)-2-hydroxypropanamide
CID 106178890
N-(3-amino-2-hydroxy-3-oxopropyl)-2-chloro-5-nitropyridine-3-carboxamide
CID 106164488
5-[(3-amino-2-hydroxy-3-oxopropyl)amino]-2-nitropyridine-4-carboxylic acid
CID 114194558
2-[2-[(5-nitropyrimidin-2-yl)amino]ethoxy]acetamide
CID 114162578
2-hydroxy-3-[1-(4-nitrophenyl)ethylamino]propanamide
CID 114153568
N-(2-chloroprop-2-enyl)-5-nitropyrimidin-2-amine
CID 104626082

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[(5-nitropyrimidin-2-yl)amino]propanamide?
The IUPAC name of 2-hydroxy-3-[(5-nitropyrimidin-2-yl)amino]propanamide (CID 106170845) is 2-hydroxy-3-[(5-nitropyrimidin-2-yl)amino]propanamide.
What is the SMILES notation for 2-hydroxy-3-[(5-nitropyrimidin-2-yl)amino]propanamide?
The canonical SMILES for 2-hydroxy-3-[(5-nitropyrimidin-2-yl)amino]propanamide is NC(=O)C(O)CNc1ncc([N+](=O)[O-])cn1.
What is the InChIKey of 2-hydroxy-3-[(5-nitropyrimidin-2-yl)amino]propanamide?
The InChIKey is CUEDORDFOWSRID-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5O4/c8-6(14)5(13)3-11-7-9-1-4(2-10-7)12(15)16/h1-2,5,13H,3H2,(H2,8,14)(H,9,10,11).
What are the key properties of 2-hydroxy-3-[(5-nitropyrimidin-2-yl)amino]propanamide?
2-hydroxy-3-[(5-nitropyrimidin-2-yl)amino]propanamide has a molecular weight of 227.18 g/mol, XLogP of -1.36, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[(5-nitropyrimidin-2-yl)amino]propanamide is sourced from PubChem (CID 106170845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).