2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-(3-methylbutan-2-yl)-5-nitropyrimidin-4-amine

C16H17FN6O2 — CID 67124050

IUPAC2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-(3-methylbutan-2-yl)-5-nitropyrimidin-4-amine
SMILESCC(C)C(C)Nc1nc(-c2cnc3ccc(F)cn23)ncc1[N+](=O)[O-]
InChIInChI=1S/C16H17FN6O2/c1-9(2)10(3)20-16-13(23(24)25)7-19-15(21-16)12-6-18-14-5-4-11(17)8-22(12)14/h4-10H,1-3H3,(H,19,20,21)
InChIKeyUJKMNWVDUKWSOB-UHFFFAOYSA-N
MW344.35 g/mol
LogP3.30
Rot. Bonds5

About 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-(3-methylbutan-2-yl)-5-nitropyrimidin-4-amine

2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-(3-methylbutan-2-yl)-5-nitropyrimidin-4-amine (PubChem CID 67124050) has the molecular formula C16H17FN6O2 and a molecular weight of 344.35 g/mol. Its IUPAC name is 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-(3-methylbutan-2-yl)-5-nitropyrimidin-4-amine.

Molecular Properties

Compound Name2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-(3-methylbutan-2-yl)-5-nitropyrimidin-4-amine
PubChem CID67124050
Molecular FormulaC16H17FN6O2
Molecular Weight344.35 g/mol
Exact Mass344.14
IUPAC Name2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-(3-methylbutan-2-yl)-5-nitropyrimidin-4-amine
SMILESCC(C)C(C)Nc1nc(-c2cnc3ccc(F)cn23)ncc1[N+](=O)[O-]
InChIInChI=1S/C16H17FN6O2/c1-9(2)10(3)20-16-13(23(24)25)7-19-15(21-16)12-6-18-14-5-4-11(17)8-22(12)14/h4-10H,1-3H3,(H,19,20,21)
InChIKeyUJKMNWVDUKWSOB-UHFFFAOYSA-N
XLogP3.30
TPSA98.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.35
LogP ≤ 53.30
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-(3-methylbutan-2-yl)-5-nitropyrimidin-4-amine?
The IUPAC name of 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-(3-methylbutan-2-yl)-5-nitropyrimidin-4-amine (CID 67124050) is 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-(3-methylbutan-2-yl)-5-nitropyrimidin-4-amine.
What is the SMILES notation for 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-(3-methylbutan-2-yl)-5-nitropyrimidin-4-amine?
The canonical SMILES for 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-(3-methylbutan-2-yl)-5-nitropyrimidin-4-amine is CC(C)C(C)Nc1nc(-c2cnc3ccc(F)cn23)ncc1[N+](=O)[O-].
What is the InChIKey of 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-(3-methylbutan-2-yl)-5-nitropyrimidin-4-amine?
The InChIKey is UJKMNWVDUKWSOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN6O2/c1-9(2)10(3)20-16-13(23(24)25)7-19-15(21-16)12-6-18-14-5-4-11(17)8-22(12)14/h4-10H,1-3H3,(H,19,20,21).
What are the key properties of 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-(3-methylbutan-2-yl)-5-nitropyrimidin-4-amine?
2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-(3-methylbutan-2-yl)-5-nitropyrimidin-4-amine has a molecular weight of 344.35 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-(3-methylbutan-2-yl)-5-nitropyrimidin-4-amine is sourced from PubChem (CID 67124050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).