5-[2-[[2-(4-bromophenyl)-6-ethylpyrimidin-4-yl]amino]ethyl]-1H-pyridin-2-one

C19H19BrN4O — CID 59467851

IUPAC5-[2-[[2-(4-bromophenyl)-6-ethylpyrimidin-4-yl]amino]ethyl]-1H-pyridin-2-one
SMILESCCc1cc(NCCc2ccc(=O)[nH]c2)nc(-c2ccc(Br)cc2)n1
InChIInChI=1S/C19H19BrN4O/c1-2-16-11-17(21-10-9-13-3-8-18(25)22-12-13)24-19(23-16)14-4-6-15(20)7-5-14/h3-8,11-12H,2,9-10H2,1H3,(H,22,25)(H,21,23,24)
InChIKeyRITBCWAHCDXGLH-UHFFFAOYSA-N
MW399.29 g/mol
LogP3.81
Rot. Bonds6

About 5-[2-[[2-(4-bromophenyl)-6-ethylpyrimidin-4-yl]amino]ethyl]-1H-pyridin-2-one

5-[2-[[2-(4-bromophenyl)-6-ethylpyrimidin-4-yl]amino]ethyl]-1H-pyridin-2-one (PubChem CID 59467851) has the molecular formula C19H19BrN4O and a molecular weight of 399.29 g/mol. Its IUPAC name is 5-[2-[[2-(4-bromophenyl)-6-ethylpyrimidin-4-yl]amino]ethyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[2-[[2-(4-bromophenyl)-6-ethylpyrimidin-4-yl]amino]ethyl]-1H-pyridin-2-one
PubChem CID59467851
Molecular FormulaC19H19BrN4O
Molecular Weight399.29 g/mol
Exact Mass398.07
IUPAC Name5-[2-[[2-(4-bromophenyl)-6-ethylpyrimidin-4-yl]amino]ethyl]-1H-pyridin-2-one
SMILESCCc1cc(NCCc2ccc(=O)[nH]c2)nc(-c2ccc(Br)cc2)n1
InChIInChI=1S/C19H19BrN4O/c1-2-16-11-17(21-10-9-13-3-8-18(25)22-12-13)24-19(23-16)14-4-6-15(20)7-5-14/h3-8,11-12H,2,9-10H2,1H3,(H,22,25)(H,21,23,24)
InChIKeyRITBCWAHCDXGLH-UHFFFAOYSA-N
XLogP3.81
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.29
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[2-[[2-(4-bromophenyl)-6-ethylpyrimidin-4-yl]amino]ethyl]-1H-pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[2-[[2-(4-bromophenyl)-6-ethylpyrimidin-4-yl]amino]ethyl]-1H-pyridin-2-one?
The IUPAC name of 5-[2-[[2-(4-bromophenyl)-6-ethylpyrimidin-4-yl]amino]ethyl]-1H-pyridin-2-one (CID 59467851) is 5-[2-[[2-(4-bromophenyl)-6-ethylpyrimidin-4-yl]amino]ethyl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[2-[[2-(4-bromophenyl)-6-ethylpyrimidin-4-yl]amino]ethyl]-1H-pyridin-2-one?
The canonical SMILES for 5-[2-[[2-(4-bromophenyl)-6-ethylpyrimidin-4-yl]amino]ethyl]-1H-pyridin-2-one is CCc1cc(NCCc2ccc(=O)[nH]c2)nc(-c2ccc(Br)cc2)n1.
What is the InChIKey of 5-[2-[[2-(4-bromophenyl)-6-ethylpyrimidin-4-yl]amino]ethyl]-1H-pyridin-2-one?
The InChIKey is RITBCWAHCDXGLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN4O/c1-2-16-11-17(21-10-9-13-3-8-18(25)22-12-13)24-19(23-16)14-4-6-15(20)7-5-14/h3-8,11-12H,2,9-10H2,1H3,(H,22,25)(H,21,23,24).
What are the key properties of 5-[2-[[2-(4-bromophenyl)-6-ethylpyrimidin-4-yl]amino]ethyl]-1H-pyridin-2-one?
5-[2-[[2-(4-bromophenyl)-6-ethylpyrimidin-4-yl]amino]ethyl]-1H-pyridin-2-one has a molecular weight of 399.29 g/mol, XLogP of 3.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[[2-(4-bromophenyl)-6-ethylpyrimidin-4-yl]amino]ethyl]-1H-pyridin-2-one is sourced from PubChem (CID 59467851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).