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

C8H11N5O2 — CID 47204491

IUPAC5-nitro-2-pyrrolidin-1-ylpyrimidin-4-amine
SMILESNc1nc(N2CCCC2)ncc1[N+](=O)[O-]
InChIInChI=1S/C8H11N5O2/c9-7-6(13(14)15)5-10-8(11-7)12-3-1-2-4-12/h5H,1-4H2,(H2,9,10,11)
InChIKeyAHSCQRMHTTVJGK-UHFFFAOYSA-N
MW209.21 g/mol
LogP0.57
Rot. Bonds2

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

5-nitro-2-pyrrolidin-1-ylpyrimidin-4-amine (PubChem CID 47204491) has the molecular formula C8H11N5O2 and a molecular weight of 209.21 g/mol. Its IUPAC name is 5-nitro-2-pyrrolidin-1-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-nitro-2-pyrrolidin-1-ylpyrimidin-4-amine
PubChem CID47204491
Molecular FormulaC8H11N5O2
Molecular Weight209.21 g/mol
Exact Mass209.09
IUPAC Name5-nitro-2-pyrrolidin-1-ylpyrimidin-4-amine
SMILESNc1nc(N2CCCC2)ncc1[N+](=O)[O-]
InChIInChI=1S/C8H11N5O2/c9-7-6(13(14)15)5-10-8(11-7)12-3-1-2-4-12/h5H,1-4H2,(H2,9,10,11)
InChIKeyAHSCQRMHTTVJGK-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

[1-(4-amino-5-nitropyrimidin-2-yl)piperidin-4-yl]methanol
CID 47281088
(2S)-1-(4-amino-5-nitropyrimidin-2-yl)pyrrolidine-2-carboxylic acid
CID 122059846
2-[4-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]piperazin-1-yl]-5-nitropyrimidin-4-amine
CID 129378362
2-[4-(4-amino-5-nitropyrimidin-2-yl)piperazin-1-yl]-2-phenylacetamide
CID 60501112
5-nitro-4-pyrrolidin-1-ylpyrimidin-2-amine
CID 4057749
2-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-5-nitropyrimidin-4-amine
CID 133363804
2-(5-bromo-1,3-dihydroisoindol-2-yl)-5-nitropyrimidin-4-amine
CID 133471701
1-(4-amino-5-nitropyrimidin-2-yl)-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 133270087
N-[1-(4-amino-5-nitropyrimidin-2-yl)piperidin-4-yl]-4-methyl-1,3-thiazol-2-amine
CID 133481384
1-(4-amino-5-nitropyrimidin-2-yl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 133277441
2-(azepan-1-yl)-5-iodopyrimidin-4-amine
CID 66303712
2-[(2S)-2-benzylpyrrolidin-1-yl]-5-nitropyrimidin-4-amine
CID 97015315

Frequently Asked Questions

What is the IUPAC name of 5-nitro-2-pyrrolidin-1-ylpyrimidin-4-amine?
The IUPAC name of 5-nitro-2-pyrrolidin-1-ylpyrimidin-4-amine (CID 47204491) is 5-nitro-2-pyrrolidin-1-ylpyrimidin-4-amine.
What is the SMILES notation for 5-nitro-2-pyrrolidin-1-ylpyrimidin-4-amine?
The canonical SMILES for 5-nitro-2-pyrrolidin-1-ylpyrimidin-4-amine is Nc1nc(N2CCCC2)ncc1[N+](=O)[O-].
What is the InChIKey of 5-nitro-2-pyrrolidin-1-ylpyrimidin-4-amine?
The InChIKey is AHSCQRMHTTVJGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O2/c9-7-6(13(14)15)5-10-8(11-7)12-3-1-2-4-12/h5H,1-4H2,(H2,9,10,11).
What are the key properties of 5-nitro-2-pyrrolidin-1-ylpyrimidin-4-amine?
5-nitro-2-pyrrolidin-1-ylpyrimidin-4-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-2-pyrrolidin-1-ylpyrimidin-4-amine is sourced from PubChem (CID 47204491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).