2-amino-6-[5-[2-(2,4-dichlorophenyl)-2-oxoethyl]-2-fluorophenyl]-3,6-dimethyl-5H-pyrimidin-4-one

C20H18Cl2FN3O2 — CID 58449211

IUPAC2-amino-6-[5-[2-(2,4-dichlorophenyl)-2-oxoethyl]-2-fluorophenyl]-3,6-dimethyl-5H-pyrimidin-4-one
SMILESCN1C(=O)CC(C)(c2cc(CC(=O)c3ccc(Cl)cc3Cl)ccc2F)N=C1N
InChIInChI=1S/C20H18Cl2FN3O2/c1-20(10-18(28)26(2)19(24)25-20)14-7-11(3-6-16(14)23)8-17(27)13-5-4-12(21)9-15(13)22/h3-7,9H,8,10H2,1-2H3,(H2,24,25)
InChIKeyHVZIOWJCYPMOEG-UHFFFAOYSA-N
MW422.29 g/mol
LogP3.95
Rot. Bonds4

About 2-amino-6-[5-[2-(2,4-dichlorophenyl)-2-oxoethyl]-2-fluorophenyl]-3,6-dimethyl-5H-pyrimidin-4-one

2-amino-6-[5-[2-(2,4-dichlorophenyl)-2-oxoethyl]-2-fluorophenyl]-3,6-dimethyl-5H-pyrimidin-4-one (PubChem CID 58449211) has the molecular formula C20H18Cl2FN3O2 and a molecular weight of 422.29 g/mol. Its IUPAC name is 2-amino-6-[5-[2-(2,4-dichlorophenyl)-2-oxoethyl]-2-fluorophenyl]-3,6-dimethyl-5H-pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-6-[5-[2-(2,4-dichlorophenyl)-2-oxoethyl]-2-fluorophenyl]-3,6-dimethyl-5H-pyrimidin-4-one
PubChem CID58449211
Molecular FormulaC20H18Cl2FN3O2
Molecular Weight422.29 g/mol
Exact Mass421.08
IUPAC Name2-amino-6-[5-[2-(2,4-dichlorophenyl)-2-oxoethyl]-2-fluorophenyl]-3,6-dimethyl-5H-pyrimidin-4-one
SMILESCN1C(=O)CC(C)(c2cc(CC(=O)c3ccc(Cl)cc3Cl)ccc2F)N=C1N
InChIInChI=1S/C20H18Cl2FN3O2/c1-20(10-18(28)26(2)19(24)25-20)14-7-11(3-6-16(14)23)8-17(27)13-5-4-12(21)9-15(13)22/h3-7,9H,8,10H2,1-2H3,(H2,24,25)
InChIKeyHVZIOWJCYPMOEG-UHFFFAOYSA-N
XLogP3.95
TPSA75.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.29
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-amino-6-[5-[2-(2,4-dichlorophenyl)-2-oxoethyl]-2-fluorophenyl]-3,6-dimethyl-5H-pyrimidin-4-one with MolForge

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Related Compounds

2-amino-6-[5-[2-(2-chloro-1,3-oxazol-4-yl)-2-oxoethyl]-2-fluorophenyl]-3,6-dimethyl-5H-pyrimidin-4-one
CID 58448709
(6S)-2-amino-6-[2-fluoro-5-[2-oxo-2-(5-prop-1-ynyl-2-pyridinyl)ethyl]phenyl]-3,6-dimethyl-5H-pyrimidin-4-one
CID 161162545
2-amino-6-[5-[2-(3-amino-5-ethoxypyrazin-2-yl)-2-oxoethyl]-2-fluorophenyl]-3,6-dimethyl-5H-pyrimidin-4-one
CID 58448951
2-amino-6-[2-fluoro-5-[2-[5-(2-methoxyethoxy)pyrazin-2-yl]-2-oxoethyl]phenyl]-3,6-dimethyl-5H-pyrimidin-4-one
CID 58449345
(6S)-2-amino-6-(2,5-difluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one
CID 59388920
2-amino-6-[2-fluoro-5-[2-[5-(2-methylsulfanylethoxy)pyrazin-2-yl]-2-oxoethyl]phenyl]-3,6-dimethyl-5H-pyrimidin-4-one
CID 58449034
2-amino-6-[2-fluoro-5-[2-oxo-2-[5-(triazol-1-yl)pyrazin-2-yl]ethyl]phenyl]-3,6-dimethyl-5H-pyrimidin-4-one
CID 58449195
2-amino-6-[2-fluoro-5-[2-oxo-2-[5-(1,2,4-triazol-1-yl)pyrazin-2-yl]ethyl]phenyl]-3,6-dimethyl-5H-pyrimidin-4-one
CID 58449112
(6S)-2-amino-6-[2-fluoro-5-(4-methylphenyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one
CID 67966792
2-amino-6-[5-[2-(5-but-3-ynoxypyrazin-2-yl)-2-oxoethyl]-2-fluorophenyl]-3,6-dimethyl-5H-pyrimidin-4-one
CID 58448454
2-amino-6-[2-fluoro-5-[2-oxo-2-(5-pent-2-ynoxypyrazin-2-yl)ethyl]phenyl]-3,6-dimethyl-5H-pyrimidin-4-one
CID 58448672
(6S)-2-amino-6-(2-chlorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one
CID 59388038

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[5-[2-(2,4-dichlorophenyl)-2-oxoethyl]-2-fluorophenyl]-3,6-dimethyl-5H-pyrimidin-4-one?
The IUPAC name of 2-amino-6-[5-[2-(2,4-dichlorophenyl)-2-oxoethyl]-2-fluorophenyl]-3,6-dimethyl-5H-pyrimidin-4-one (CID 58449211) is 2-amino-6-[5-[2-(2,4-dichlorophenyl)-2-oxoethyl]-2-fluorophenyl]-3,6-dimethyl-5H-pyrimidin-4-one.
What is the SMILES notation for 2-amino-6-[5-[2-(2,4-dichlorophenyl)-2-oxoethyl]-2-fluorophenyl]-3,6-dimethyl-5H-pyrimidin-4-one?
The canonical SMILES for 2-amino-6-[5-[2-(2,4-dichlorophenyl)-2-oxoethyl]-2-fluorophenyl]-3,6-dimethyl-5H-pyrimidin-4-one is CN1C(=O)CC(C)(c2cc(CC(=O)c3ccc(Cl)cc3Cl)ccc2F)N=C1N.
What is the InChIKey of 2-amino-6-[5-[2-(2,4-dichlorophenyl)-2-oxoethyl]-2-fluorophenyl]-3,6-dimethyl-5H-pyrimidin-4-one?
The InChIKey is HVZIOWJCYPMOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2FN3O2/c1-20(10-18(28)26(2)19(24)25-20)14-7-11(3-6-16(14)23)8-17(27)13-5-4-12(21)9-15(13)22/h3-7,9H,8,10H2,1-2H3,(H2,24,25).
What are the key properties of 2-amino-6-[5-[2-(2,4-dichlorophenyl)-2-oxoethyl]-2-fluorophenyl]-3,6-dimethyl-5H-pyrimidin-4-one?
2-amino-6-[5-[2-(2,4-dichlorophenyl)-2-oxoethyl]-2-fluorophenyl]-3,6-dimethyl-5H-pyrimidin-4-one has a molecular weight of 422.29 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[5-[2-(2,4-dichlorophenyl)-2-oxoethyl]-2-fluorophenyl]-3,6-dimethyl-5H-pyrimidin-4-one is sourced from PubChem (CID 58449211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).