2-[5-(2-bromophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one

C20H18BrN5O — CID 10432442

IUPAC2-[5-(2-bromophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one
SMILESCn1c(N2CCC=C(c3ccccc3Br)C2)nc(-c2ccncn2)cc1=O
InChIInChI=1S/C20H18BrN5O/c1-25-19(27)11-18(17-8-9-22-13-23-17)24-20(25)26-10-4-5-14(12-26)15-6-2-3-7-16(15)21/h2-3,5-9,11,13H,4,10,12H2,1H3
InChIKeyJDQIYXIUXFKQDB-UHFFFAOYSA-N
MW424.30 g/mol
LogP3.29
Rot. Bonds3

About 2-[5-(2-bromophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one

2-[5-(2-bromophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one (PubChem CID 10432442) has the molecular formula C20H18BrN5O and a molecular weight of 424.30 g/mol. Its IUPAC name is 2-[5-(2-bromophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one.

Molecular Properties

Compound Name2-[5-(2-bromophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one
PubChem CID10432442
Molecular FormulaC20H18BrN5O
Molecular Weight424.30 g/mol
Exact Mass423.07
IUPAC Name2-[5-(2-bromophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one
SMILESCn1c(N2CCC=C(c3ccccc3Br)C2)nc(-c2ccncn2)cc1=O
InChIInChI=1S/C20H18BrN5O/c1-25-19(27)11-18(17-8-9-22-13-23-17)24-20(25)26-10-4-5-14(12-26)15-6-2-3-7-16(15)21/h2-3,5-9,11,13H,4,10,12H2,1H3
InChIKeyJDQIYXIUXFKQDB-UHFFFAOYSA-N
XLogP3.29
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.30
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-bromophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one?
The IUPAC name of 2-[5-(2-bromophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one (CID 10432442) is 2-[5-(2-bromophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one.
What is the SMILES notation for 2-[5-(2-bromophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one?
The canonical SMILES for 2-[5-(2-bromophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one is Cn1c(N2CCC=C(c3ccccc3Br)C2)nc(-c2ccncn2)cc1=O.
What is the InChIKey of 2-[5-(2-bromophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one?
The InChIKey is JDQIYXIUXFKQDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrN5O/c1-25-19(27)11-18(17-8-9-22-13-23-17)24-20(25)26-10-4-5-14(12-26)15-6-2-3-7-16(15)21/h2-3,5-9,11,13H,4,10,12H2,1H3.
What are the key properties of 2-[5-(2-bromophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one?
2-[5-(2-bromophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one has a molecular weight of 424.30 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-bromophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one is sourced from PubChem (CID 10432442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).