2-[(2-amino-5-nitropyrimidin-4-yl)amino]-N-cyclopropylacetamide

C9H12N6O3 — CID 114044387

IUPAC2-[(2-amino-5-nitropyrimidin-4-yl)amino]-N-cyclopropylacetamide
SMILESNc1ncc([N+](=O)[O-])c(NCC(=O)NC2CC2)n1
InChIInChI=1S/C9H12N6O3/c10-9-12-3-6(15(17)18)8(14-9)11-4-7(16)13-5-1-2-5/h3,5H,1-2,4H2,(H,13,16)(H3,10,11,12,14)
InChIKeyAHPZDQWPMMOGAL-UHFFFAOYSA-N
MW252.23 g/mol
LogP-0.34
Rot. Bonds5

About 2-[(2-amino-5-nitropyrimidin-4-yl)amino]-N-cyclopropylacetamide

2-[(2-amino-5-nitropyrimidin-4-yl)amino]-N-cyclopropylacetamide (PubChem CID 114044387) has the molecular formula C9H12N6O3 and a molecular weight of 252.23 g/mol. Its IUPAC name is 2-[(2-amino-5-nitropyrimidin-4-yl)amino]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[(2-amino-5-nitropyrimidin-4-yl)amino]-N-cyclopropylacetamide
PubChem CID114044387
Molecular FormulaC9H12N6O3
Molecular Weight252.23 g/mol
Exact Mass252.10
IUPAC Name2-[(2-amino-5-nitropyrimidin-4-yl)amino]-N-cyclopropylacetamide
SMILESNc1ncc([N+](=O)[O-])c(NCC(=O)NC2CC2)n1
InChIInChI=1S/C9H12N6O3/c10-9-12-3-6(15(17)18)8(14-9)11-4-7(16)13-5-1-2-5/h3,5H,1-2,4H2,(H,13,16)(H3,10,11,12,14)
InChIKeyAHPZDQWPMMOGAL-UHFFFAOYSA-N
XLogP-0.34
TPSA136.07 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.23
LogP ≤ 5-0.34
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'}

Analyze 2-[(2-amino-5-nitropyrimidin-4-yl)amino]-N-cyclopropylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2-amino-5-methylpyrimidin-4-yl)amino]-N-cyclopropylacetamide
CID 80793027
4-[[(2-amino-5-nitropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 106138501
N-cyclopropyl-2-[(5-methyl-4-nitro-2-pyridinyl)amino]acetamide
CID 83269747
2-[2-[(2-amino-5-nitropyrimidin-4-yl)amino]ethyl]propane-1,3-diol
CID 141313147
2-(3-amino-4-nitroanilino)-N-cyclopropylacetamide
CID 106749007
5-nitro-4-N-(1-oxothian-4-yl)pyrimidine-2,4-diamine
CID 114045369
2-[(3-cyano-5-nitro-2-pyridinyl)amino]-N-cyclopropylacetamide
CID 60678014
4-[[2-(cyclopropylamino)-2-oxoethyl]amino]-3-nitrobenzamide
CID 43400441
5-nitro-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-2,4-diamine
CID 114044720
3-[(2-amino-5-methylpyrimidin-4-yl)amino]-N-cyclopropylpropanamide
CID 80849479
N-cyclopropyl-2-[[5-nitro-6-(propylamino)pyrimidin-4-yl]amino]acetamide
CID 80775447
4-N-(1-cyclopropylpropan-2-yl)-5-nitropyrimidine-2,4-diamine
CID 114044760

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-5-nitropyrimidin-4-yl)amino]-N-cyclopropylacetamide?
The IUPAC name of 2-[(2-amino-5-nitropyrimidin-4-yl)amino]-N-cyclopropylacetamide (CID 114044387) is 2-[(2-amino-5-nitropyrimidin-4-yl)amino]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[(2-amino-5-nitropyrimidin-4-yl)amino]-N-cyclopropylacetamide?
The canonical SMILES for 2-[(2-amino-5-nitropyrimidin-4-yl)amino]-N-cyclopropylacetamide is Nc1ncc([N+](=O)[O-])c(NCC(=O)NC2CC2)n1.
What is the InChIKey of 2-[(2-amino-5-nitropyrimidin-4-yl)amino]-N-cyclopropylacetamide?
The InChIKey is AHPZDQWPMMOGAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6O3/c10-9-12-3-6(15(17)18)8(14-9)11-4-7(16)13-5-1-2-5/h3,5H,1-2,4H2,(H,13,16)(H3,10,11,12,14).
What are the key properties of 2-[(2-amino-5-nitropyrimidin-4-yl)amino]-N-cyclopropylacetamide?
2-[(2-amino-5-nitropyrimidin-4-yl)amino]-N-cyclopropylacetamide has a molecular weight of 252.23 g/mol, XLogP of -0.34, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-5-nitropyrimidin-4-yl)amino]-N-cyclopropylacetamide is sourced from PubChem (CID 114044387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).