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

C19H17ClF2N4O — CID 59467845

IUPAC4-[2-[[2-(4-chloro-2,5-difluorophenyl)-6-ethylpyrimidin-4-yl]amino]ethyl]-1H-pyridin-2-one
SMILESCCc1cc(NCCc2cc[nH]c(=O)c2)nc(-c2cc(F)c(Cl)cc2F)n1
InChIInChI=1S/C19H17ClF2N4O/c1-2-12-8-17(23-5-3-11-4-6-24-18(27)7-11)26-19(25-12)13-9-16(22)14(20)10-15(13)21/h4,6-10H,2-3,5H2,1H3,(H,24,27)(H,23,25,26)
InChIKeyHNCAHNKUINZSCO-UHFFFAOYSA-N
MW390.82 g/mol
LogP3.98
Rot. Bonds6

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

4-[2-[[2-(4-chloro-2,5-difluorophenyl)-6-ethylpyrimidin-4-yl]amino]ethyl]-1H-pyridin-2-one (PubChem CID 59467845) has the molecular formula C19H17ClF2N4O and a molecular weight of 390.82 g/mol. Its IUPAC name is 4-[2-[[2-(4-chloro-2,5-difluorophenyl)-6-ethylpyrimidin-4-yl]amino]ethyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[2-[[2-(4-chloro-2,5-difluorophenyl)-6-ethylpyrimidin-4-yl]amino]ethyl]-1H-pyridin-2-one
PubChem CID59467845
Molecular FormulaC19H17ClF2N4O
Molecular Weight390.82 g/mol
Exact Mass390.11
IUPAC Name4-[2-[[2-(4-chloro-2,5-difluorophenyl)-6-ethylpyrimidin-4-yl]amino]ethyl]-1H-pyridin-2-one
SMILESCCc1cc(NCCc2cc[nH]c(=O)c2)nc(-c2cc(F)c(Cl)cc2F)n1
InChIInChI=1S/C19H17ClF2N4O/c1-2-12-8-17(23-5-3-11-4-6-24-18(27)7-11)26-19(25-12)13-9-16(22)14(20)10-15(13)21/h4,6-10H,2-3,5H2,1H3,(H,24,27)(H,23,25,26)
InChIKeyHNCAHNKUINZSCO-UHFFFAOYSA-N
XLogP3.98
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.82
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[2-[[2-(4-chloro-2,5-difluorophenyl)-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 4-[2-[[2-(4-chloro-2,5-difluorophenyl)-6-ethylpyrimidin-4-yl]amino]ethyl]-1H-pyridin-2-one?
The IUPAC name of 4-[2-[[2-(4-chloro-2,5-difluorophenyl)-6-ethylpyrimidin-4-yl]amino]ethyl]-1H-pyridin-2-one (CID 59467845) is 4-[2-[[2-(4-chloro-2,5-difluorophenyl)-6-ethylpyrimidin-4-yl]amino]ethyl]-1H-pyridin-2-one.
What is the SMILES notation for 4-[2-[[2-(4-chloro-2,5-difluorophenyl)-6-ethylpyrimidin-4-yl]amino]ethyl]-1H-pyridin-2-one?
The canonical SMILES for 4-[2-[[2-(4-chloro-2,5-difluorophenyl)-6-ethylpyrimidin-4-yl]amino]ethyl]-1H-pyridin-2-one is CCc1cc(NCCc2cc[nH]c(=O)c2)nc(-c2cc(F)c(Cl)cc2F)n1.
What is the InChIKey of 4-[2-[[2-(4-chloro-2,5-difluorophenyl)-6-ethylpyrimidin-4-yl]amino]ethyl]-1H-pyridin-2-one?
The InChIKey is HNCAHNKUINZSCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClF2N4O/c1-2-12-8-17(23-5-3-11-4-6-24-18(27)7-11)26-19(25-12)13-9-16(22)14(20)10-15(13)21/h4,6-10H,2-3,5H2,1H3,(H,24,27)(H,23,25,26).
What are the key properties of 4-[2-[[2-(4-chloro-2,5-difluorophenyl)-6-ethylpyrimidin-4-yl]amino]ethyl]-1H-pyridin-2-one?
4-[2-[[2-(4-chloro-2,5-difluorophenyl)-6-ethylpyrimidin-4-yl]amino]ethyl]-1H-pyridin-2-one has a molecular weight of 390.82 g/mol, XLogP of 3.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[2-(4-chloro-2,5-difluorophenyl)-6-ethylpyrimidin-4-yl]amino]ethyl]-1H-pyridin-2-one is sourced from PubChem (CID 59467845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).