4-[2-[[2-(4-bromo-2,5-difluorophenyl)-6-methylpyrimidin-4-yl]amino]ethyl]-1H-pyridin-2-one

C18H15BrF2N4O — CID 10319993

IUPAC4-[2-[[2-(4-bromo-2,5-difluorophenyl)-6-methylpyrimidin-4-yl]amino]ethyl]-1H-pyridin-2-one
SMILESCc1cc(NCCc2cc[nH]c(=O)c2)nc(-c2cc(F)c(Br)cc2F)n1
InChIInChI=1S/C18H15BrF2N4O/c1-10-6-16(22-4-2-11-3-5-23-17(26)7-11)25-18(24-10)12-8-15(21)13(19)9-14(12)20/h3,5-9H,2,4H2,1H3,(H,23,26)(H,22,24,25)
InChIKeyRYVKIABDAXCSEP-UHFFFAOYSA-N
MW421.25 g/mol
LogP3.84
Rot. Bonds5

About 4-[2-[[2-(4-bromo-2,5-difluorophenyl)-6-methylpyrimidin-4-yl]amino]ethyl]-1H-pyridin-2-one

4-[2-[[2-(4-bromo-2,5-difluorophenyl)-6-methylpyrimidin-4-yl]amino]ethyl]-1H-pyridin-2-one (PubChem CID 10319993) has the molecular formula C18H15BrF2N4O and a molecular weight of 421.25 g/mol. Its IUPAC name is 4-[2-[[2-(4-bromo-2,5-difluorophenyl)-6-methylpyrimidin-4-yl]amino]ethyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[2-[[2-(4-bromo-2,5-difluorophenyl)-6-methylpyrimidin-4-yl]amino]ethyl]-1H-pyridin-2-one
PubChem CID10319993
Molecular FormulaC18H15BrF2N4O
Molecular Weight421.25 g/mol
Exact Mass420.04
IUPAC Name4-[2-[[2-(4-bromo-2,5-difluorophenyl)-6-methylpyrimidin-4-yl]amino]ethyl]-1H-pyridin-2-one
SMILESCc1cc(NCCc2cc[nH]c(=O)c2)nc(-c2cc(F)c(Br)cc2F)n1
InChIInChI=1S/C18H15BrF2N4O/c1-10-6-16(22-4-2-11-3-5-23-17(26)7-11)25-18(24-10)12-8-15(21)13(19)9-14(12)20/h3,5-9H,2,4H2,1H3,(H,23,26)(H,22,24,25)
InChIKeyRYVKIABDAXCSEP-UHFFFAOYSA-N
XLogP3.84
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.25
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[[2-(4-bromo-2,5-difluorophenyl)-6-methylpyrimidin-4-yl]amino]ethyl]-1H-pyridin-2-one?
The IUPAC name of 4-[2-[[2-(4-bromo-2,5-difluorophenyl)-6-methylpyrimidin-4-yl]amino]ethyl]-1H-pyridin-2-one (CID 10319993) is 4-[2-[[2-(4-bromo-2,5-difluorophenyl)-6-methylpyrimidin-4-yl]amino]ethyl]-1H-pyridin-2-one.
What is the SMILES notation for 4-[2-[[2-(4-bromo-2,5-difluorophenyl)-6-methylpyrimidin-4-yl]amino]ethyl]-1H-pyridin-2-one?
The canonical SMILES for 4-[2-[[2-(4-bromo-2,5-difluorophenyl)-6-methylpyrimidin-4-yl]amino]ethyl]-1H-pyridin-2-one is Cc1cc(NCCc2cc[nH]c(=O)c2)nc(-c2cc(F)c(Br)cc2F)n1.
What is the InChIKey of 4-[2-[[2-(4-bromo-2,5-difluorophenyl)-6-methylpyrimidin-4-yl]amino]ethyl]-1H-pyridin-2-one?
The InChIKey is RYVKIABDAXCSEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrF2N4O/c1-10-6-16(22-4-2-11-3-5-23-17(26)7-11)25-18(24-10)12-8-15(21)13(19)9-14(12)20/h3,5-9H,2,4H2,1H3,(H,23,26)(H,22,24,25).
What are the key properties of 4-[2-[[2-(4-bromo-2,5-difluorophenyl)-6-methylpyrimidin-4-yl]amino]ethyl]-1H-pyridin-2-one?
4-[2-[[2-(4-bromo-2,5-difluorophenyl)-6-methylpyrimidin-4-yl]amino]ethyl]-1H-pyridin-2-one has a molecular weight of 421.25 g/mol, XLogP of 3.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[2-(4-bromo-2,5-difluorophenyl)-6-methylpyrimidin-4-yl]amino]ethyl]-1H-pyridin-2-one is sourced from PubChem (CID 10319993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).