(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidin-3-yl)-(4-hydroxyphenyl)methanone

C15H12FN3O2 — CID 139342684

IUPAC(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidin-3-yl)-(4-hydroxyphenyl)methanone
SMILESCCc1nc2ncc(F)cn2c1C(=O)c1ccc(O)cc1
InChIInChI=1S/C15H12FN3O2/c1-2-12-13(14(21)9-3-5-11(20)6-4-9)19-8-10(16)7-17-15(19)18-12/h3-8,20H,2H2,1H3
InChIKeyQKLDLJRWKDKZML-UHFFFAOYSA-N
MW285.28 g/mol
LogP2.37
Rot. Bonds3

About (2-ethyl-6-fluoroimidazo[1,2-a]pyrimidin-3-yl)-(4-hydroxyphenyl)methanone

(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidin-3-yl)-(4-hydroxyphenyl)methanone (PubChem CID 139342684) has the molecular formula C15H12FN3O2 and a molecular weight of 285.28 g/mol. Its IUPAC name is (2-ethyl-6-fluoroimidazo[1,2-a]pyrimidin-3-yl)-(4-hydroxyphenyl)methanone.

Molecular Properties

Compound Name(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidin-3-yl)-(4-hydroxyphenyl)methanone
PubChem CID139342684
Molecular FormulaC15H12FN3O2
Molecular Weight285.28 g/mol
Exact Mass285.09
IUPAC Name(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidin-3-yl)-(4-hydroxyphenyl)methanone
SMILESCCc1nc2ncc(F)cn2c1C(=O)c1ccc(O)cc1
InChIInChI=1S/C15H12FN3O2/c1-2-12-13(14(21)9-3-5-11(20)6-4-9)19-8-10(16)7-17-15(19)18-12/h3-8,20H,2H2,1H3
InChIKeyQKLDLJRWKDKZML-UHFFFAOYSA-N
XLogP2.37
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.28
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(6-bromo-2-ethylimidazo[1,2-a]pyrimidin-3-yl)-(4-hydroxyphenyl)methanone
CID 139342763
(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidin-3-yl)-(4-hydroxy-3-iodophenyl)methanone
CID 139342534
5-(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidine-3-carbonyl)-2-hydroxybenzonitrile
CID 139342703
3-bromo-5-(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidine-3-carbonyl)-2-hydroxybenzonitrile
CID 139342441
[2-[(1S)-2,2-difluorocyclopropyl]-6-fluoroimidazo[1,2-a]pyrimidin-3-yl]-(4-hydroxyphenyl)methanone
CID 178012639
(2-ethylimidazo[1,2-a]pyridin-3-yl)-(4-hydroxyphenyl)methanone;hydrochloride
CID 21145966
ethane;2-ethyl-6-methylimidazo[1,2-a]pyrimidine-3-carboxylic acid
CID 156649042
(3-chloro-4-methoxyphenyl)-(2-ethyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)methanone
CID 126687576
(3,5-dibromo-4-hydroxyphenyl)-[6-fluoro-2-(1-fluorocyclopropyl)imidazo[1,2-a]pyrimidin-3-yl]methanone
CID 178012600
(7-chloro-2-ethylimidazo[1,2-c]pyrimidin-3-yl)-(4-methylphenyl)methanone
CID 139342538
(6-bromo-2-ethylimidazo[1,2-a]pyridin-3-yl)-(3,5-dibromo-4-hydroxyphenyl)methanone
CID 134535281
(2-ethyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-(4-methoxyphenyl)methanone
CID 134535449

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-6-fluoroimidazo[1,2-a]pyrimidin-3-yl)-(4-hydroxyphenyl)methanone?
The IUPAC name of (2-ethyl-6-fluoroimidazo[1,2-a]pyrimidin-3-yl)-(4-hydroxyphenyl)methanone (CID 139342684) is (2-ethyl-6-fluoroimidazo[1,2-a]pyrimidin-3-yl)-(4-hydroxyphenyl)methanone.
What is the SMILES notation for (2-ethyl-6-fluoroimidazo[1,2-a]pyrimidin-3-yl)-(4-hydroxyphenyl)methanone?
The canonical SMILES for (2-ethyl-6-fluoroimidazo[1,2-a]pyrimidin-3-yl)-(4-hydroxyphenyl)methanone is CCc1nc2ncc(F)cn2c1C(=O)c1ccc(O)cc1.
What is the InChIKey of (2-ethyl-6-fluoroimidazo[1,2-a]pyrimidin-3-yl)-(4-hydroxyphenyl)methanone?
The InChIKey is QKLDLJRWKDKZML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O2/c1-2-12-13(14(21)9-3-5-11(20)6-4-9)19-8-10(16)7-17-15(19)18-12/h3-8,20H,2H2,1H3.
What are the key properties of (2-ethyl-6-fluoroimidazo[1,2-a]pyrimidin-3-yl)-(4-hydroxyphenyl)methanone?
(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidin-3-yl)-(4-hydroxyphenyl)methanone has a molecular weight of 285.28 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-6-fluoroimidazo[1,2-a]pyrimidin-3-yl)-(4-hydroxyphenyl)methanone is sourced from PubChem (CID 139342684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).