(4S)-4-propan-2-yl-1-[2-(trifluoromethyl)pyrimidin-5-yl]imidazolidin-2-one

C11H13F3N4O — CID 140625285

IUPAC(4S)-4-propan-2-yl-1-[2-(trifluoromethyl)pyrimidin-5-yl]imidazolidin-2-one
SMILESCC(C)[C@H]1CN(c2cnc(C(F)(F)F)nc2)C(=O)N1
InChIInChI=1S/C11H13F3N4O/c1-6(2)8-5-18(10(19)17-8)7-3-15-9(16-4-7)11(12,13)14/h3-4,6,8H,5H2,1-2H3,(H,17,19)/t8-/m1/s1
InChIKeyVIRXTGOSTISMHH-MRVPVSSYSA-N
MW274.25 g/mol
LogP2.05
Rot. Bonds2

About (4S)-4-propan-2-yl-1-[2-(trifluoromethyl)pyrimidin-5-yl]imidazolidin-2-one

(4S)-4-propan-2-yl-1-[2-(trifluoromethyl)pyrimidin-5-yl]imidazolidin-2-one (PubChem CID 140625285) has the molecular formula C11H13F3N4O and a molecular weight of 274.25 g/mol. Its IUPAC name is (4S)-4-propan-2-yl-1-[2-(trifluoromethyl)pyrimidin-5-yl]imidazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-propan-2-yl-1-[2-(trifluoromethyl)pyrimidin-5-yl]imidazolidin-2-one
PubChem CID140625285
Molecular FormulaC11H13F3N4O
Molecular Weight274.25 g/mol
Exact Mass274.10
IUPAC Name(4S)-4-propan-2-yl-1-[2-(trifluoromethyl)pyrimidin-5-yl]imidazolidin-2-one
SMILESCC(C)[C@H]1CN(c2cnc(C(F)(F)F)nc2)C(=O)N1
InChIInChI=1S/C11H13F3N4O/c1-6(2)8-5-18(10(19)17-8)7-3-15-9(16-4-7)11(12,13)14/h3-4,6,8H,5H2,1-2H3,(H,17,19)/t8-/m1/s1
InChIKeyVIRXTGOSTISMHH-MRVPVSSYSA-N
XLogP2.05
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.25
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3S,4R)-1-(5-fluoropyrimidin-2-yl)-4-propan-2-ylpyrrolidin-3-yl]-1,1-dimethylurea
CID 72908687
N-[2-(dimethylamino)pyrimidin-5-yl]-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 75442953
N-(2-cyclopropylpyrimidin-5-yl)-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 84598434
N-(2-cyclopropylpyrimidin-5-yl)pyrrolidine-1-carboxamide
CID 97185463
9-(3-Methylbutyl)-8,9-dihydro-7H-purin-8-one
CID 53181086
1-[2-(Dimethylamino)ethyl]-3-(2-ethylpyrimidin-5-yl)-1-propan-2-ylurea
CID 75501516
N-(2-ethylpyrimidin-5-yl)-4-methyl-1,4-diazepane-1-carboxamide
CID 75518464
(6S)-N-(2-ethylpyrimidin-5-yl)-6-methyl-4-(2,2,2-trifluoroethyl)-1,4-diazepane-1-carboxamide
CID 164637080
1-[2-[(1R)-3,3-difluorocyclopentyl]ethyl]-3-(2-ethylpyrimidin-5-yl)urea
CID 164639886
9-(2,2,2-trifluoroethyl)-7H-purin-8-one
CID 18334862
5-((3S)-3-{[4-(1-Methylethyl)-1-piperazinyl]carbonyl}-1-pyrrolidinyl)-2-(trifluoromethyl)pyrimidine
CID 57442308
(4R)-4-propan-2-yl-1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrrolidin-2-one
CID 68300192

Frequently Asked Questions

What is the IUPAC name of (4S)-4-propan-2-yl-1-[2-(trifluoromethyl)pyrimidin-5-yl]imidazolidin-2-one?
The IUPAC name of (4S)-4-propan-2-yl-1-[2-(trifluoromethyl)pyrimidin-5-yl]imidazolidin-2-one (CID 140625285) is (4S)-4-propan-2-yl-1-[2-(trifluoromethyl)pyrimidin-5-yl]imidazolidin-2-one.
What is the SMILES notation for (4S)-4-propan-2-yl-1-[2-(trifluoromethyl)pyrimidin-5-yl]imidazolidin-2-one?
The canonical SMILES for (4S)-4-propan-2-yl-1-[2-(trifluoromethyl)pyrimidin-5-yl]imidazolidin-2-one is CC(C)[C@H]1CN(c2cnc(C(F)(F)F)nc2)C(=O)N1.
What is the InChIKey of (4S)-4-propan-2-yl-1-[2-(trifluoromethyl)pyrimidin-5-yl]imidazolidin-2-one?
The InChIKey is VIRXTGOSTISMHH-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H13F3N4O/c1-6(2)8-5-18(10(19)17-8)7-3-15-9(16-4-7)11(12,13)14/h3-4,6,8H,5H2,1-2H3,(H,17,19)/t8-/m1/s1.
What are the key properties of (4S)-4-propan-2-yl-1-[2-(trifluoromethyl)pyrimidin-5-yl]imidazolidin-2-one?
(4S)-4-propan-2-yl-1-[2-(trifluoromethyl)pyrimidin-5-yl]imidazolidin-2-one has a molecular weight of 274.25 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-propan-2-yl-1-[2-(trifluoromethyl)pyrimidin-5-yl]imidazolidin-2-one is sourced from PubChem (CID 140625285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).