2-ethyl-3-nitroimidazo[1,2-a]pyrimidin-6-amine

C8H9N5O2 — CID 83833639

IUPAC2-ethyl-3-nitroimidazo[1,2-a]pyrimidin-6-amine
SMILESCCc1nc2ncc(N)cn2c1[N+](=O)[O-]
InChIInChI=1S/C8H9N5O2/c1-2-6-7(13(14)15)12-4-5(9)3-10-8(12)11-6/h3-4H,2,9H2,1H3
InChIKeyCLVZBZHOXBCTNW-UHFFFAOYSA-N
MW207.19 g/mol
LogP0.78
Rot. Bonds2

About 2-ethyl-3-nitroimidazo[1,2-a]pyrimidin-6-amine

2-ethyl-3-nitroimidazo[1,2-a]pyrimidin-6-amine (PubChem CID 83833639) has the molecular formula C8H9N5O2 and a molecular weight of 207.19 g/mol. Its IUPAC name is 2-ethyl-3-nitroimidazo[1,2-a]pyrimidin-6-amine.

Molecular Properties

Compound Name2-ethyl-3-nitroimidazo[1,2-a]pyrimidin-6-amine
PubChem CID83833639
Molecular FormulaC8H9N5O2
Molecular Weight207.19 g/mol
Exact Mass207.08
IUPAC Name2-ethyl-3-nitroimidazo[1,2-a]pyrimidin-6-amine
SMILESCCc1nc2ncc(N)cn2c1[N+](=O)[O-]
InChIInChI=1S/C8H9N5O2/c1-2-6-7(13(14)15)12-4-5(9)3-10-8(12)11-6/h3-4H,2,9H2,1H3
InChIKeyCLVZBZHOXBCTNW-UHFFFAOYSA-N
XLogP0.78
TPSA99.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 50.78
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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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-nitroimidazo[1,2-a]pyrimidin-6-amine?
The IUPAC name of 2-ethyl-3-nitroimidazo[1,2-a]pyrimidin-6-amine (CID 83833639) is 2-ethyl-3-nitroimidazo[1,2-a]pyrimidin-6-amine.
What is the SMILES notation for 2-ethyl-3-nitroimidazo[1,2-a]pyrimidin-6-amine?
The canonical SMILES for 2-ethyl-3-nitroimidazo[1,2-a]pyrimidin-6-amine is CCc1nc2ncc(N)cn2c1[N+](=O)[O-].
What is the InChIKey of 2-ethyl-3-nitroimidazo[1,2-a]pyrimidin-6-amine?
The InChIKey is CLVZBZHOXBCTNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O2/c1-2-6-7(13(14)15)12-4-5(9)3-10-8(12)11-6/h3-4H,2,9H2,1H3.
What are the key properties of 2-ethyl-3-nitroimidazo[1,2-a]pyrimidin-6-amine?
2-ethyl-3-nitroimidazo[1,2-a]pyrimidin-6-amine has a molecular weight of 207.19 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-nitroimidazo[1,2-a]pyrimidin-6-amine is sourced from PubChem (CID 83833639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).