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

C15H12BrN3O2 — CID 139342763

IUPAC(6-bromo-2-ethylimidazo[1,2-a]pyrimidin-3-yl)-(4-hydroxyphenyl)methanone
SMILESCCc1nc2ncc(Br)cn2c1C(=O)c1ccc(O)cc1
InChIInChI=1S/C15H12BrN3O2/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
InChIKeyNUQNTUGTMQOGEC-UHFFFAOYSA-N
MW346.18 g/mol
LogP2.99
Rot. Bonds3

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

(6-bromo-2-ethylimidazo[1,2-a]pyrimidin-3-yl)-(4-hydroxyphenyl)methanone (PubChem CID 139342763) has the molecular formula C15H12BrN3O2 and a molecular weight of 346.18 g/mol. Its IUPAC name is (6-bromo-2-ethylimidazo[1,2-a]pyrimidin-3-yl)-(4-hydroxyphenyl)methanone.

Molecular Properties

Compound Name(6-bromo-2-ethylimidazo[1,2-a]pyrimidin-3-yl)-(4-hydroxyphenyl)methanone
PubChem CID139342763
Molecular FormulaC15H12BrN3O2
Molecular Weight346.18 g/mol
Exact Mass345.01
IUPAC Name(6-bromo-2-ethylimidazo[1,2-a]pyrimidin-3-yl)-(4-hydroxyphenyl)methanone
SMILESCCc1nc2ncc(Br)cn2c1C(=O)c1ccc(O)cc1
InChIInChI=1S/C15H12BrN3O2/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
InChIKeyNUQNTUGTMQOGEC-UHFFFAOYSA-N
XLogP2.99
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.18
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6-bromo-2-ethylimidazo[1,2-a]pyrimidin-3-yl)-(4-hydroxyphenyl)methanone?
The IUPAC name of (6-bromo-2-ethylimidazo[1,2-a]pyrimidin-3-yl)-(4-hydroxyphenyl)methanone (CID 139342763) is (6-bromo-2-ethylimidazo[1,2-a]pyrimidin-3-yl)-(4-hydroxyphenyl)methanone.
What is the SMILES notation for (6-bromo-2-ethylimidazo[1,2-a]pyrimidin-3-yl)-(4-hydroxyphenyl)methanone?
The canonical SMILES for (6-bromo-2-ethylimidazo[1,2-a]pyrimidin-3-yl)-(4-hydroxyphenyl)methanone is CCc1nc2ncc(Br)cn2c1C(=O)c1ccc(O)cc1.
What is the InChIKey of (6-bromo-2-ethylimidazo[1,2-a]pyrimidin-3-yl)-(4-hydroxyphenyl)methanone?
The InChIKey is NUQNTUGTMQOGEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3O2/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 (6-bromo-2-ethylimidazo[1,2-a]pyrimidin-3-yl)-(4-hydroxyphenyl)methanone?
(6-bromo-2-ethylimidazo[1,2-a]pyrimidin-3-yl)-(4-hydroxyphenyl)methanone has a molecular weight of 346.18 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-2-ethylimidazo[1,2-a]pyrimidin-3-yl)-(4-hydroxyphenyl)methanone is sourced from PubChem (CID 139342763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).