5-nitro-4-pyrrolidin-1-ylpyrimidin-2-amine

C8H11N5O2 — CID 4057749

IUPAC5-nitro-4-pyrrolidin-1-ylpyrimidin-2-amine
SMILESNc1ncc([N+](=O)[O-])c(N2CCCC2)n1
InChIInChI=1S/C8H11N5O2/c9-8-10-5-6(13(14)15)7(11-8)12-3-1-2-4-12/h5H,1-4H2,(H2,9,10,11)
InChIKeyYIUCWNHARYVMKW-UHFFFAOYSA-N
MW209.21 g/mol
LogP0.57
Rot. Bonds2

About 5-nitro-4-pyrrolidin-1-ylpyrimidin-2-amine

5-nitro-4-pyrrolidin-1-ylpyrimidin-2-amine (PubChem CID 4057749) has the molecular formula C8H11N5O2 and a molecular weight of 209.21 g/mol. Its IUPAC name is 5-nitro-4-pyrrolidin-1-ylpyrimidin-2-amine.

Molecular Properties

Compound Name5-nitro-4-pyrrolidin-1-ylpyrimidin-2-amine
PubChem CID4057749
Molecular FormulaC8H11N5O2
Molecular Weight209.21 g/mol
Exact Mass209.09
IUPAC Name5-nitro-4-pyrrolidin-1-ylpyrimidin-2-amine
SMILESNc1ncc([N+](=O)[O-])c(N2CCCC2)n1
InChIInChI=1S/C8H11N5O2/c9-8-10-5-6(13(14)15)7(11-8)12-3-1-2-4-12/h5H,1-4H2,(H2,9,10,11)
InChIKeyYIUCWNHARYVMKW-UHFFFAOYSA-N
XLogP0.57
TPSA98.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 50.57
H-Bond Donors ≤ 51
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

4-(3-methylpiperidin-1-yl)-5-nitropyrimidin-2-amine
CID 114044083
4-(2,6-dimethylthiomorpholin-4-yl)-5-nitropyrimidin-2-amine
CID 114044762
[1-(2-amino-5-nitropyrimidin-4-yl)piperidin-2-yl]methanol
CID 114044486
5-nitro-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 47204491
[4-(4-methyl-1,4-diazepan-1-yl)-5-nitropyrimidin-2-yl]hydrazine
CID 114045124
5-nitro-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-2,4-diamine
CID 114044720
1-(2-chloro-5-nitropyrimidin-4-yl)-4-methylazepane
CID 114043306
1-(2-chloro-5-nitropyrimidin-4-yl)piperidine-4-carboxylic acid
CID 7147260
1-(2-amino-5-nitropyrimidin-4-yl)pyrazole-4-carboxamide
CID 114045473
7-nitro-4-piperidin-1-yl-3H-imidazo[4,5-c]pyridine
CID 15366272
6-(azepan-1-yl)-5-nitropyridine-2-carboxylic acid
CID 114403402
1-(2-chloro-5-nitropyrimidin-4-yl)piperidine-4-carboxylate
CID 7147259

Frequently Asked Questions

What is the IUPAC name of 5-nitro-4-pyrrolidin-1-ylpyrimidin-2-amine?
The IUPAC name of 5-nitro-4-pyrrolidin-1-ylpyrimidin-2-amine (CID 4057749) is 5-nitro-4-pyrrolidin-1-ylpyrimidin-2-amine.
What is the SMILES notation for 5-nitro-4-pyrrolidin-1-ylpyrimidin-2-amine?
The canonical SMILES for 5-nitro-4-pyrrolidin-1-ylpyrimidin-2-amine is Nc1ncc([N+](=O)[O-])c(N2CCCC2)n1.
What is the InChIKey of 5-nitro-4-pyrrolidin-1-ylpyrimidin-2-amine?
The InChIKey is YIUCWNHARYVMKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O2/c9-8-10-5-6(13(14)15)7(11-8)12-3-1-2-4-12/h5H,1-4H2,(H2,9,10,11).
What are the key properties of 5-nitro-4-pyrrolidin-1-ylpyrimidin-2-amine?
5-nitro-4-pyrrolidin-1-ylpyrimidin-2-amine has a molecular weight of 209.21 g/mol, XLogP of 0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-4-pyrrolidin-1-ylpyrimidin-2-amine is sourced from PubChem (CID 4057749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).