6-bromo-2-[(4-fluoro-2-pyridinyl)oxymethyl]imidazo[1,2-a]pyrimidine

C12H8BrFN4O — CID 122506739

IUPAC6-bromo-2-[(4-fluoro-2-pyridinyl)oxymethyl]imidazo[1,2-a]pyrimidine
SMILESFc1ccnc(OCc2cn3cc(Br)cnc3n2)c1
InChIInChI=1S/C12H8BrFN4O/c13-8-4-16-12-17-10(6-18(12)5-8)7-19-11-3-9(14)1-2-15-11/h1-6H,7H2
InChIKeyONBBHEKADJSPGP-UHFFFAOYSA-N
MW323.13 g/mol
LogP2.60
Rot. Bonds3

About 6-bromo-2-[(4-fluoro-2-pyridinyl)oxymethyl]imidazo[1,2-a]pyrimidine

6-bromo-2-[(4-fluoro-2-pyridinyl)oxymethyl]imidazo[1,2-a]pyrimidine (PubChem CID 122506739) has the molecular formula C12H8BrFN4O and a molecular weight of 323.13 g/mol. Its IUPAC name is 6-bromo-2-[(4-fluoro-2-pyridinyl)oxymethyl]imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name6-bromo-2-[(4-fluoro-2-pyridinyl)oxymethyl]imidazo[1,2-a]pyrimidine
PubChem CID122506739
Molecular FormulaC12H8BrFN4O
Molecular Weight323.13 g/mol
Exact Mass321.99
IUPAC Name6-bromo-2-[(4-fluoro-2-pyridinyl)oxymethyl]imidazo[1,2-a]pyrimidine
SMILESFc1ccnc(OCc2cn3cc(Br)cnc3n2)c1
InChIInChI=1S/C12H8BrFN4O/c13-8-4-16-12-17-10(6-18(12)5-8)7-19-11-3-9(14)1-2-15-11/h1-6H,7H2
InChIKeyONBBHEKADJSPGP-UHFFFAOYSA-N
XLogP2.60
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.13
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-Bromophenoxy)methyl]imidazo[1,2-a]pyridine
CID 781520
3-(6-Methoxypyridin-2-yl)-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine
CID 9835756
6-(5-fluoro-6-methyl-pyridin-2-yl)-2-phenoxymethyl-7,8-dihydro-6H-imidazo[1,2-c]pyrimidin-5-one
CID 68290549
6-(5-Fluoro-2-pyridinyl)-2-(phenoxymethyl)-7,8-dihydroimidazo[1,2-c]pyrimidin-5-one
CID 68308472
2-[(4-Methoxyphenoxy)methyl]-5,7-dimethylimidazo[1,2-a]pyrimidine
CID 4169250
(5,7-Dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl phenyl ether
CID 4564703
3-(2-Methoxypyridin-4-yl)-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine
CID 44408248
(2S)-4-(imidazo[1,5-a]pyridin-1-ylmethyl)-2-(phenoxymethyl)morpholine
CID 127031500
2-[(5-Methoxy-2-pyridinyl)methoxy]pyrimido[1,2-a]benzimidazole
CID 164611376
6-(4-Fluorophenyl)-2-(pyridin-2-yloxymethyl)imidazo[1,2-c]pyrimidin-5-one
CID 66551375
US10100057, Example 133
CID 122506548
US10100057, Example 135
CID 122506551

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-[(4-fluoro-2-pyridinyl)oxymethyl]imidazo[1,2-a]pyrimidine?
The IUPAC name of 6-bromo-2-[(4-fluoro-2-pyridinyl)oxymethyl]imidazo[1,2-a]pyrimidine (CID 122506739) is 6-bromo-2-[(4-fluoro-2-pyridinyl)oxymethyl]imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 6-bromo-2-[(4-fluoro-2-pyridinyl)oxymethyl]imidazo[1,2-a]pyrimidine?
The canonical SMILES for 6-bromo-2-[(4-fluoro-2-pyridinyl)oxymethyl]imidazo[1,2-a]pyrimidine is Fc1ccnc(OCc2cn3cc(Br)cnc3n2)c1.
What is the InChIKey of 6-bromo-2-[(4-fluoro-2-pyridinyl)oxymethyl]imidazo[1,2-a]pyrimidine?
The InChIKey is ONBBHEKADJSPGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrFN4O/c13-8-4-16-12-17-10(6-18(12)5-8)7-19-11-3-9(14)1-2-15-11/h1-6H,7H2.
What are the key properties of 6-bromo-2-[(4-fluoro-2-pyridinyl)oxymethyl]imidazo[1,2-a]pyrimidine?
6-bromo-2-[(4-fluoro-2-pyridinyl)oxymethyl]imidazo[1,2-a]pyrimidine has a molecular weight of 323.13 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-[(4-fluoro-2-pyridinyl)oxymethyl]imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 122506739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).