5-bromo-2-(6-methyl-3-pyridinyl)-1H-pyrimidin-6-one

C10H8BrN3O — CID 104822808

IUPAC5-bromo-2-(6-methyl-3-pyridinyl)-1H-pyrimidin-6-one
SMILESCc1ccc(-c2ncc(Br)c(=O)[nH]2)cn1
InChIInChI=1S/C10H8BrN3O/c1-6-2-3-7(4-12-6)9-13-5-8(11)10(15)14-9/h2-5H,1H3,(H,13,14,15)
InChIKeyVOLMYZPMZMXKPN-UHFFFAOYSA-N
MW266.10 g/mol
LogP1.90
Rot. Bonds1

About 5-bromo-2-(6-methyl-3-pyridinyl)-1H-pyrimidin-6-one

5-bromo-2-(6-methyl-3-pyridinyl)-1H-pyrimidin-6-one (PubChem CID 104822808) has the molecular formula C10H8BrN3O and a molecular weight of 266.10 g/mol. Its IUPAC name is 5-bromo-2-(6-methyl-3-pyridinyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-2-(6-methyl-3-pyridinyl)-1H-pyrimidin-6-one
PubChem CID104822808
Molecular FormulaC10H8BrN3O
Molecular Weight266.10 g/mol
Exact Mass264.99
IUPAC Name5-bromo-2-(6-methyl-3-pyridinyl)-1H-pyrimidin-6-one
SMILESCc1ccc(-c2ncc(Br)c(=O)[nH]2)cn1
InChIInChI=1S/C10H8BrN3O/c1-6-2-3-7(4-12-6)9-13-5-8(11)10(15)14-9/h2-5H,1H3,(H,13,14,15)
InChIKeyVOLMYZPMZMXKPN-UHFFFAOYSA-N
XLogP1.90
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.10
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-(4-phenylphenyl)-1H-pyrimidin-6-one
CID 66312577
5-bromo-2-(3-methylthiophen-2-yl)-1H-pyrimidin-6-one
CID 66312965
5-bromo-2-(furan-3-yl)-1H-pyrimidin-6-one
CID 66314279
5-bromo-2-(5-methyl-2-pyridinyl)-1H-pyrimidin-6-one
CID 81311951
4-hydroxy-5-iodo-2-(6-methyl-3-pyridinyl)-1H-pyrimidin-6-one
CID 104822795
2-methyl-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridine
CID 22759818
5-iodo-2-(6-methyl-3-pyridinyl)-4-phenyl-1H-pyrimidin-6-one
CID 136775644
5-bromo-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1H-pyrimidin-6-one
CID 66312584
5-bromo-2-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrimidin-6-one
CID 66312195
2-methyl-5-(2-methyl-1H-imidazol-5-yl)pyridine
CID 90181960
5-bromo-N-methyl-2-(6-methyl-3-pyridinyl)pyrimidin-4-amine
CID 104823414
5-(2-bromophenyl)-2-methylpyridine
CID 156556672

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(6-methyl-3-pyridinyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-2-(6-methyl-3-pyridinyl)-1H-pyrimidin-6-one (CID 104822808) is 5-bromo-2-(6-methyl-3-pyridinyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-2-(6-methyl-3-pyridinyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-2-(6-methyl-3-pyridinyl)-1H-pyrimidin-6-one is Cc1ccc(-c2ncc(Br)c(=O)[nH]2)cn1.
What is the InChIKey of 5-bromo-2-(6-methyl-3-pyridinyl)-1H-pyrimidin-6-one?
The InChIKey is VOLMYZPMZMXKPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrN3O/c1-6-2-3-7(4-12-6)9-13-5-8(11)10(15)14-9/h2-5H,1H3,(H,13,14,15).
What are the key properties of 5-bromo-2-(6-methyl-3-pyridinyl)-1H-pyrimidin-6-one?
5-bromo-2-(6-methyl-3-pyridinyl)-1H-pyrimidin-6-one has a molecular weight of 266.10 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(6-methyl-3-pyridinyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 104822808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).