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

C15H15FN6O3 — CID 67124099

IUPAC2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-(1-methoxypropan-2-yl)-5-nitropyrimidin-4-amine
SMILESCOCC(C)Nc1nc(-c2cnc3ccc(F)cn23)ncc1[N+](=O)[O-]
InChIInChI=1S/C15H15FN6O3/c1-9(8-25-2)19-15-12(22(23)24)6-18-14(20-15)11-5-17-13-4-3-10(16)7-21(11)13/h3-7,9H,8H2,1-2H3,(H,18,19,20)
InChIKeyGPXWNMUDJNMKTH-UHFFFAOYSA-N
MW346.32 g/mol
LogP2.29
Rot. Bonds6

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

2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-(1-methoxypropan-2-yl)-5-nitropyrimidin-4-amine (PubChem CID 67124099) has the molecular formula C15H15FN6O3 and a molecular weight of 346.32 g/mol. Its IUPAC name is 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-(1-methoxypropan-2-yl)-5-nitropyrimidin-4-amine.

Molecular Properties

Compound Name2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-(1-methoxypropan-2-yl)-5-nitropyrimidin-4-amine
PubChem CID67124099
Molecular FormulaC15H15FN6O3
Molecular Weight346.32 g/mol
Exact Mass346.12
IUPAC Name2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-(1-methoxypropan-2-yl)-5-nitropyrimidin-4-amine
SMILESCOCC(C)Nc1nc(-c2cnc3ccc(F)cn23)ncc1[N+](=O)[O-]
InChIInChI=1S/C15H15FN6O3/c1-9(8-25-2)19-15-12(22(23)24)6-18-14(20-15)11-5-17-13-4-3-10(16)7-21(11)13/h3-7,9H,8H2,1-2H3,(H,18,19,20)
InChIKeyGPXWNMUDJNMKTH-UHFFFAOYSA-N
XLogP2.29
TPSA107.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.32
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitropyrimidin-4-yl]amino]butanoic acid
CID 67123907
2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]-5-nitropyrimidin-4-amine
CID 67123963
ethyl 4-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitropyrimidin-4-yl]amino]cyclohexane-1-carboxylate
CID 67123862
3-(4-chloro-5-nitropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitro-N-[(1R)-1-pyridin-2-ylethyl]pyrimidin-4-amine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-N-[(1R)-1-pyridin-2-ylethyl]pyrimidine-4,5-diamine;(1R)-1-pyridin-2-ylethanamine
CID 161460504
2-N-(1-methoxypropan-2-yl)-3-nitro-6-N-propylpyridine-2,6-diamine
CID 80786716
2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[[(1S)-1-(4-fluorophenyl)butyl]amino]pyrimidine-5-carboxamide
CID 67257229
2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-(3-methylbutan-2-yl)-7H-purin-8-one
CID 56592814
(2R)-2-[1-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-8-oxo-7H-purin-9-yl]ethyl]-3,3-dimethylbutanoic acid
CID 89486080
6-N-(2,5-difluorophenyl)-4-N-(1-methoxypropan-2-yl)-5-nitropyrimidine-4,6-diamine
CID 22538641
2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-N-(2-methoxyethyl)-4-N-[(3R)-piperidin-3-yl]pyrimidine-4,6-diamine
CID 86692691
(3R)-3-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-8-oxo-7H-purin-9-yl]butanamide
CID 67124089
3-chloro-N-(1-methoxypropan-2-yl)-2-methyl-6-nitroaniline
CID 112740980

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-(1-methoxypropan-2-yl)-5-nitropyrimidin-4-amine?
The IUPAC name of 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-(1-methoxypropan-2-yl)-5-nitropyrimidin-4-amine (CID 67124099) is 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-(1-methoxypropan-2-yl)-5-nitropyrimidin-4-amine.
What is the SMILES notation for 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-(1-methoxypropan-2-yl)-5-nitropyrimidin-4-amine?
The canonical SMILES for 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-(1-methoxypropan-2-yl)-5-nitropyrimidin-4-amine is COCC(C)Nc1nc(-c2cnc3ccc(F)cn23)ncc1[N+](=O)[O-].
What is the InChIKey of 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-(1-methoxypropan-2-yl)-5-nitropyrimidin-4-amine?
The InChIKey is GPXWNMUDJNMKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN6O3/c1-9(8-25-2)19-15-12(22(23)24)6-18-14(20-15)11-5-17-13-4-3-10(16)7-21(11)13/h3-7,9H,8H2,1-2H3,(H,18,19,20).
What are the key properties of 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-(1-methoxypropan-2-yl)-5-nitropyrimidin-4-amine?
2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-(1-methoxypropan-2-yl)-5-nitropyrimidin-4-amine has a molecular weight of 346.32 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-(1-methoxypropan-2-yl)-5-nitropyrimidin-4-amine is sourced from PubChem (CID 67124099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).