3-[2-[[4-(4-fluorophenoxy)pyrimidin-2-yl]amino]ethyl]-5,5-dimethylpyrrolidin-2-one

C18H21FN4O2 — CID 166271587

IUPAC3-[2-[[4-(4-fluorophenoxy)pyrimidin-2-yl]amino]ethyl]-5,5-dimethylpyrrolidin-2-one
SMILESCC1(C)CC(CCNc2nccc(Oc3ccc(F)cc3)n2)C(=O)N1
InChIInChI=1S/C18H21FN4O2/c1-18(2)11-12(16(24)23-18)7-9-20-17-21-10-8-15(22-17)25-14-5-3-13(19)4-6-14/h3-6,8,10,12H,7,9,11H2,1-2H3,(H,23,24)(H,20,21,22)
InChIKeyFKCVGAMJBKFGCP-UHFFFAOYSA-N
MW344.39 g/mol
LogP3.12
Rot. Bonds6

About 3-[2-[[4-(4-fluorophenoxy)pyrimidin-2-yl]amino]ethyl]-5,5-dimethylpyrrolidin-2-one

3-[2-[[4-(4-fluorophenoxy)pyrimidin-2-yl]amino]ethyl]-5,5-dimethylpyrrolidin-2-one (PubChem CID 166271587) has the molecular formula C18H21FN4O2 and a molecular weight of 344.39 g/mol. Its IUPAC name is 3-[2-[[4-(4-fluorophenoxy)pyrimidin-2-yl]amino]ethyl]-5,5-dimethylpyrrolidin-2-one.

Molecular Properties

Compound Name3-[2-[[4-(4-fluorophenoxy)pyrimidin-2-yl]amino]ethyl]-5,5-dimethylpyrrolidin-2-one
PubChem CID166271587
Molecular FormulaC18H21FN4O2
Molecular Weight344.39 g/mol
Exact Mass344.16
IUPAC Name3-[2-[[4-(4-fluorophenoxy)pyrimidin-2-yl]amino]ethyl]-5,5-dimethylpyrrolidin-2-one
SMILESCC1(C)CC(CCNc2nccc(Oc3ccc(F)cc3)n2)C(=O)N1
InChIInChI=1S/C18H21FN4O2/c1-18(2)11-12(16(24)23-18)7-9-20-17-21-10-8-15(22-17)25-14-5-3-13(19)4-6-14/h3-6,8,10,12H,7,9,11H2,1-2H3,(H,23,24)(H,20,21,22)
InChIKeyFKCVGAMJBKFGCP-UHFFFAOYSA-N
XLogP3.12
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[2-[[4-(4-fluorophenoxy)pyrimidin-2-yl]amino]ethyl]-5,5-dimethylpyrrolidin-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

Related Compounds

4-(4-fluorophenoxy)-N-methylpyrimidin-2-amine
CID 80869601
4-(4-fluorophenoxy)-N-[2-(2-methoxyphenyl)ethyl]pyrimidin-2-amine
CID 56553691
4-(4-fluorophenoxy)-N-[2-(1H-indol-3-yl)ethyl]pyrimidin-2-amine
CID 56553608
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-fluorophenoxy)pyrimidin-2-amine
CID 56553337
N-cyclopentyl-4-(4-fluorophenoxy)pyrimidin-2-amine
CID 56553610
4-(4-methylphenoxy)-N-propylpyrimidin-2-amine
CID 80862544
(2,6-dimethylmorpholin-4-yl)-[4-[[[4-(4-fluorophenoxy)pyrimidin-2-yl]amino]methyl]phenyl]methanone
CID 56574306
4-(4-fluorophenoxy)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pyrimidin-2-amine
CID 56553986
4-(3,4-difluorophenoxy)-N-propylpyrimidin-2-amine
CID 80875190
4-(4-fluorophenoxy)-N-[4-(2-methoxyethoxy)phenyl]pyrimidin-2-amine
CID 56575483
4-(4-fluorophenoxy)-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]pyrimidin-2-amine
CID 56574268
N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-4-(4-fluorophenoxy)pyrimidin-2-amine
CID 133411339

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[4-(4-fluorophenoxy)pyrimidin-2-yl]amino]ethyl]-5,5-dimethylpyrrolidin-2-one?
The IUPAC name of 3-[2-[[4-(4-fluorophenoxy)pyrimidin-2-yl]amino]ethyl]-5,5-dimethylpyrrolidin-2-one (CID 166271587) is 3-[2-[[4-(4-fluorophenoxy)pyrimidin-2-yl]amino]ethyl]-5,5-dimethylpyrrolidin-2-one.
What is the SMILES notation for 3-[2-[[4-(4-fluorophenoxy)pyrimidin-2-yl]amino]ethyl]-5,5-dimethylpyrrolidin-2-one?
The canonical SMILES for 3-[2-[[4-(4-fluorophenoxy)pyrimidin-2-yl]amino]ethyl]-5,5-dimethylpyrrolidin-2-one is CC1(C)CC(CCNc2nccc(Oc3ccc(F)cc3)n2)C(=O)N1.
What is the InChIKey of 3-[2-[[4-(4-fluorophenoxy)pyrimidin-2-yl]amino]ethyl]-5,5-dimethylpyrrolidin-2-one?
The InChIKey is FKCVGAMJBKFGCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O2/c1-18(2)11-12(16(24)23-18)7-9-20-17-21-10-8-15(22-17)25-14-5-3-13(19)4-6-14/h3-6,8,10,12H,7,9,11H2,1-2H3,(H,23,24)(H,20,21,22).
What are the key properties of 3-[2-[[4-(4-fluorophenoxy)pyrimidin-2-yl]amino]ethyl]-5,5-dimethylpyrrolidin-2-one?
3-[2-[[4-(4-fluorophenoxy)pyrimidin-2-yl]amino]ethyl]-5,5-dimethylpyrrolidin-2-one has a molecular weight of 344.39 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[4-(4-fluorophenoxy)pyrimidin-2-yl]amino]ethyl]-5,5-dimethylpyrrolidin-2-one is sourced from PubChem (CID 166271587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).