2-(3-bromo-2-pyridinyl)-4-ethyl-1H-pyrimidin-6-one

C11H10BrN3O — CID 136715411

IUPAC2-(3-bromo-2-pyridinyl)-4-ethyl-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(-c2ncccc2Br)n1
InChIInChI=1S/C11H10BrN3O/c1-2-7-6-9(16)15-11(14-7)10-8(12)4-3-5-13-10/h3-6H,2H2,1H3,(H,14,15,16)
InChIKeyVLZYZIXLQKTMNN-UHFFFAOYSA-N
MW280.12 g/mol
LogP2.16
Rot. Bonds2

About 2-(3-bromo-2-pyridinyl)-4-ethyl-1H-pyrimidin-6-one

2-(3-bromo-2-pyridinyl)-4-ethyl-1H-pyrimidin-6-one (PubChem CID 136715411) has the molecular formula C11H10BrN3O and a molecular weight of 280.12 g/mol. Its IUPAC name is 2-(3-bromo-2-pyridinyl)-4-ethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(3-bromo-2-pyridinyl)-4-ethyl-1H-pyrimidin-6-one
PubChem CID136715411
Molecular FormulaC11H10BrN3O
Molecular Weight280.12 g/mol
Exact Mass279.00
IUPAC Name2-(3-bromo-2-pyridinyl)-4-ethyl-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(-c2ncccc2Br)n1
InChIInChI=1S/C11H10BrN3O/c1-2-7-6-9(16)15-11(14-7)10-8(12)4-3-5-13-10/h3-6H,2H2,1H3,(H,14,15,16)
InChIKeyVLZYZIXLQKTMNN-UHFFFAOYSA-N
XLogP2.16
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.12
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromo-2-pyridinyl)-4-propyl-1H-pyrimidin-6-one
CID 136715409
2-(3-bromo-2-pyridinyl)-4-[(tert-butylamino)methyl]-1H-pyrimidin-6-one
CID 136715517
2-(3-bromo-2-pyridinyl)-3-ethylpyridine
CID 167433763
2-(3-bromo-2-pyridinyl)-6-ethyl-5-methyl-1H-pyrimidine-4-thione
CID 106478101
5-bromo-2-(3-bromo-2-pyridinyl)-4-propan-2-yl-1H-pyrimidin-6-one
CID 136999475
2-(4,5-dibromothiophen-2-yl)-4-ethyl-1H-pyrimidin-6-one
CID 136683043
4-[(tert-butylamino)methyl]-2-(3-chloro-2-pyridinyl)-1H-pyrimidin-6-one
CID 136847819
2-(3-bromo-2-pyridinyl)-5-methyl-4-phenyl-1H-pyrimidin-6-one
CID 136764381
2-(2-bromo-5-methoxyphenyl)-4-ethyl-1H-pyrimidin-6-one
CID 136774541
5-bromo-2-(3-bromo-2-pyridinyl)-4-tert-butyl-1H-pyrimidin-6-one
CID 136715427
4-ethyl-2-(6-methoxypyridazin-3-yl)-1H-pyrimidin-6-one
CID 137012354
2-(3-bromo-2-pyridinyl)-4-cyclopropyl-5-iodo-1H-pyrimidin-6-one
CID 136999478

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2-pyridinyl)-4-ethyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(3-bromo-2-pyridinyl)-4-ethyl-1H-pyrimidin-6-one (CID 136715411) is 2-(3-bromo-2-pyridinyl)-4-ethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(3-bromo-2-pyridinyl)-4-ethyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(3-bromo-2-pyridinyl)-4-ethyl-1H-pyrimidin-6-one is CCc1cc(=O)[nH]c(-c2ncccc2Br)n1.
What is the InChIKey of 2-(3-bromo-2-pyridinyl)-4-ethyl-1H-pyrimidin-6-one?
The InChIKey is VLZYZIXLQKTMNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3O/c1-2-7-6-9(16)15-11(14-7)10-8(12)4-3-5-13-10/h3-6H,2H2,1H3,(H,14,15,16).
What are the key properties of 2-(3-bromo-2-pyridinyl)-4-ethyl-1H-pyrimidin-6-one?
2-(3-bromo-2-pyridinyl)-4-ethyl-1H-pyrimidin-6-one has a molecular weight of 280.12 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2-pyridinyl)-4-ethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136715411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).