[1-(2-amino-5-nitropyrimidin-4-yl)piperidin-2-yl]methanol

C10H15N5O3 — CID 114044486

IUPAC[1-(2-amino-5-nitropyrimidin-4-yl)piperidin-2-yl]methanol
SMILESNc1ncc([N+](=O)[O-])c(N2CCCCC2CO)n1
InChIInChI=1S/C10H15N5O3/c11-10-12-5-8(15(17)18)9(13-10)14-4-2-1-3-7(14)6-16/h5,7,16H,1-4,6H2,(H2,11,12,13)
InChIKeyQWKLXRRRBQZHJA-UHFFFAOYSA-N
MW253.26 g/mol
LogP0.32
Rot. Bonds3

About [1-(2-amino-5-nitropyrimidin-4-yl)piperidin-2-yl]methanol

[1-(2-amino-5-nitropyrimidin-4-yl)piperidin-2-yl]methanol (PubChem CID 114044486) has the molecular formula C10H15N5O3 and a molecular weight of 253.26 g/mol. Its IUPAC name is [1-(2-amino-5-nitropyrimidin-4-yl)piperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(2-amino-5-nitropyrimidin-4-yl)piperidin-2-yl]methanol
PubChem CID114044486
Molecular FormulaC10H15N5O3
Molecular Weight253.26 g/mol
Exact Mass253.12
IUPAC Name[1-(2-amino-5-nitropyrimidin-4-yl)piperidin-2-yl]methanol
SMILESNc1ncc([N+](=O)[O-])c(N2CCCCC2CO)n1
InChIInChI=1S/C10H15N5O3/c11-10-12-5-8(15(17)18)9(13-10)14-4-2-1-3-7(14)6-16/h5,7,16H,1-4,6H2,(H2,11,12,13)
InChIKeyQWKLXRRRBQZHJA-UHFFFAOYSA-N
XLogP0.32
TPSA118.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 50.32
H-Bond Donors ≤ 52
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

6-[2-(hydroxymethyl)azepan-1-yl]-5-nitropyridine-2-carboxylic acid
CID 114404730
5-nitro-4-pyrrolidin-1-ylpyrimidin-2-amine
CID 4057749
[1-(6-amino-5-nitro-2-pyridinyl)azepan-2-yl]methanol
CID 116636858
[1-(6-methoxy-3-nitro-2-pyridinyl)azepan-2-yl]methanol
CID 116636978
[1-(6-amino-5-nitropyrimidin-4-yl)azepan-2-yl]methanol
CID 116640711
6-[2-(hydroxymethyl)pyrrolidin-1-yl]-5-nitropyridine-3-carboxylic acid
CID 81438512
[1-(3-bromo-5-nitro-2-pyridinyl)piperidin-2-yl]methanol
CID 79523718
3-[1-(2-chloro-5-nitropyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol
CID 114043276
[1-(3-nitro-4-pyridinyl)piperidin-2-yl]methanol
CID 61146528
[1-[6-(methylamino)-3-nitro-2-pyridinyl]pyrrolidin-2-yl]methanol
CID 80794786
[1-(3,5-diamino-2-pyridinyl)piperidin-2-yl]methanol
CID 23064302
[1-(3-amino-4-nitrophenyl)azepan-2-yl]methanol
CID 106751882

Frequently Asked Questions

What is the IUPAC name of [1-(2-amino-5-nitropyrimidin-4-yl)piperidin-2-yl]methanol?
The IUPAC name of [1-(2-amino-5-nitropyrimidin-4-yl)piperidin-2-yl]methanol (CID 114044486) is [1-(2-amino-5-nitropyrimidin-4-yl)piperidin-2-yl]methanol.
What is the SMILES notation for [1-(2-amino-5-nitropyrimidin-4-yl)piperidin-2-yl]methanol?
The canonical SMILES for [1-(2-amino-5-nitropyrimidin-4-yl)piperidin-2-yl]methanol is Nc1ncc([N+](=O)[O-])c(N2CCCCC2CO)n1.
What is the InChIKey of [1-(2-amino-5-nitropyrimidin-4-yl)piperidin-2-yl]methanol?
The InChIKey is QWKLXRRRBQZHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O3/c11-10-12-5-8(15(17)18)9(13-10)14-4-2-1-3-7(14)6-16/h5,7,16H,1-4,6H2,(H2,11,12,13).
What are the key properties of [1-(2-amino-5-nitropyrimidin-4-yl)piperidin-2-yl]methanol?
[1-(2-amino-5-nitropyrimidin-4-yl)piperidin-2-yl]methanol has a molecular weight of 253.26 g/mol, XLogP of 0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-amino-5-nitropyrimidin-4-yl)piperidin-2-yl]methanol is sourced from PubChem (CID 114044486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).