3-(2-fluoropyrimidin-4-yl)-1-methyl-4-propan-2-ylimidazolidin-2-one

C11H15FN4O — CID 137440050

IUPAC3-(2-fluoropyrimidin-4-yl)-1-methyl-4-propan-2-ylimidazolidin-2-one
SMILESCC(C)C1CN(C)C(=O)N1c1ccnc(F)n1
InChIInChI=1S/C11H15FN4O/c1-7(2)8-6-15(3)11(17)16(8)9-4-5-13-10(12)14-9/h4-5,7-8H,6H2,1-3H3
InChIKeyZHPGHYVEQFZTBT-UHFFFAOYSA-N
MW238.27 g/mol
LogP1.51
Rot. Bonds2

About 3-(2-fluoropyrimidin-4-yl)-1-methyl-4-propan-2-ylimidazolidin-2-one

3-(2-fluoropyrimidin-4-yl)-1-methyl-4-propan-2-ylimidazolidin-2-one (PubChem CID 137440050) has the molecular formula C11H15FN4O and a molecular weight of 238.27 g/mol. Its IUPAC name is 3-(2-fluoropyrimidin-4-yl)-1-methyl-4-propan-2-ylimidazolidin-2-one.

Molecular Properties

Compound Name3-(2-fluoropyrimidin-4-yl)-1-methyl-4-propan-2-ylimidazolidin-2-one
PubChem CID137440050
Molecular FormulaC11H15FN4O
Molecular Weight238.27 g/mol
Exact Mass238.12
IUPAC Name3-(2-fluoropyrimidin-4-yl)-1-methyl-4-propan-2-ylimidazolidin-2-one
SMILESCC(C)C1CN(C)C(=O)N1c1ccnc(F)n1
InChIInChI=1S/C11H15FN4O/c1-7(2)8-6-15(3)11(17)16(8)9-4-5-13-10(12)14-9/h4-5,7-8H,6H2,1-3H3
InChIKeyZHPGHYVEQFZTBT-UHFFFAOYSA-N
XLogP1.51
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-4-propan-2-yl-3-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one
CID 138555054
(4S)-3-[2-[[1-[1-(3-chloro-5-fluorophenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one
CID 130469629
(4S)-4-cyclopropyl-1-ethyl-3-(2-fluoropyrimidin-4-yl)imidazolidin-2-one
CID 137439938
(4R)-3-(2-fluoropyrimidin-4-yl)-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one
CID 90415866
(4S)-3-[2-[[(1S)-1-[1-(3-chloro-5-fluorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[(1S)-1-[1-(3,5-dichlorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-1-methyl-4-propan-2-yl-3-[2-[[(1S)-1-[1-[3-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one;(4S)-1-methyl-4-propan-2-yl-3-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one
CID 159382710
3-(3-cyclopropylphenyl)-5-[1-[[4-(3-methyl-2-oxo-5-propan-2-ylimidazolidin-1-yl)pyrimidin-2-yl]amino]cyclopropyl]imidazole-4-carbonitrile
CID 138542693
3-[2-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 175058879
(5S)-1-[2-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-4,4-dideuterio-3-methyl-5-propan-2-ylimidazolidin-2-one
CID 137439990
3-[2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 90343304
4-propan-2-yl-3-[2-(1-pyrimidin-2-ylethylamino)pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 123238043
CID 160996746
CID 160996746
3-[2-[[(1S)-1-(2-fluoro-4-propan-2-ylphenyl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 89479054

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoropyrimidin-4-yl)-1-methyl-4-propan-2-ylimidazolidin-2-one?
The IUPAC name of 3-(2-fluoropyrimidin-4-yl)-1-methyl-4-propan-2-ylimidazolidin-2-one (CID 137440050) is 3-(2-fluoropyrimidin-4-yl)-1-methyl-4-propan-2-ylimidazolidin-2-one.
What is the SMILES notation for 3-(2-fluoropyrimidin-4-yl)-1-methyl-4-propan-2-ylimidazolidin-2-one?
The canonical SMILES for 3-(2-fluoropyrimidin-4-yl)-1-methyl-4-propan-2-ylimidazolidin-2-one is CC(C)C1CN(C)C(=O)N1c1ccnc(F)n1.
What is the InChIKey of 3-(2-fluoropyrimidin-4-yl)-1-methyl-4-propan-2-ylimidazolidin-2-one?
The InChIKey is ZHPGHYVEQFZTBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN4O/c1-7(2)8-6-15(3)11(17)16(8)9-4-5-13-10(12)14-9/h4-5,7-8H,6H2,1-3H3.
What are the key properties of 3-(2-fluoropyrimidin-4-yl)-1-methyl-4-propan-2-ylimidazolidin-2-one?
3-(2-fluoropyrimidin-4-yl)-1-methyl-4-propan-2-ylimidazolidin-2-one has a molecular weight of 238.27 g/mol, XLogP of 1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoropyrimidin-4-yl)-1-methyl-4-propan-2-ylimidazolidin-2-one is sourced from PubChem (CID 137440050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).