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

C11H13F3N4O — CID 86705168

IUPAC(4S)-4-propan-2-yl-1-[5-(trifluoromethyl)pyrimidin-2-yl]imidazolidin-2-one
SMILESCC(C)[C@H]1CN(c2ncc(C(F)(F)F)cn2)C(=O)N1
InChIInChI=1S/C11H13F3N4O/c1-6(2)8-5-18(10(19)17-8)9-15-3-7(4-16-9)11(12,13)14/h3-4,6,8H,5H2,1-2H3,(H,17,19)/t8-/m1/s1
InChIKeyFRRTYBDNLQIGRJ-MRVPVSSYSA-N
MW274.25 g/mol
LogP2.05
Rot. Bonds2

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

(4S)-4-propan-2-yl-1-[5-(trifluoromethyl)pyrimidin-2-yl]imidazolidin-2-one (PubChem CID 86705168) has the molecular formula C11H13F3N4O and a molecular weight of 274.25 g/mol. Its IUPAC name is (4S)-4-propan-2-yl-1-[5-(trifluoromethyl)pyrimidin-2-yl]imidazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-propan-2-yl-1-[5-(trifluoromethyl)pyrimidin-2-yl]imidazolidin-2-one
PubChem CID86705168
Molecular FormulaC11H13F3N4O
Molecular Weight274.25 g/mol
Exact Mass274.10
IUPAC Name(4S)-4-propan-2-yl-1-[5-(trifluoromethyl)pyrimidin-2-yl]imidazolidin-2-one
SMILESCC(C)[C@H]1CN(c2ncc(C(F)(F)F)cn2)C(=O)N1
InChIInChI=1S/C11H13F3N4O/c1-6(2)8-5-18(10(19)17-8)9-15-3-7(4-16-9)11(12,13)14/h3-4,6,8H,5H2,1-2H3,(H,17,19)/t8-/m1/s1
InChIKeyFRRTYBDNLQIGRJ-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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Frequently Asked Questions

What is the IUPAC name of (4S)-4-propan-2-yl-1-[5-(trifluoromethyl)pyrimidin-2-yl]imidazolidin-2-one?
The IUPAC name of (4S)-4-propan-2-yl-1-[5-(trifluoromethyl)pyrimidin-2-yl]imidazolidin-2-one (CID 86705168) is (4S)-4-propan-2-yl-1-[5-(trifluoromethyl)pyrimidin-2-yl]imidazolidin-2-one.
What is the SMILES notation for (4S)-4-propan-2-yl-1-[5-(trifluoromethyl)pyrimidin-2-yl]imidazolidin-2-one?
The canonical SMILES for (4S)-4-propan-2-yl-1-[5-(trifluoromethyl)pyrimidin-2-yl]imidazolidin-2-one is CC(C)[C@H]1CN(c2ncc(C(F)(F)F)cn2)C(=O)N1.
What is the InChIKey of (4S)-4-propan-2-yl-1-[5-(trifluoromethyl)pyrimidin-2-yl]imidazolidin-2-one?
The InChIKey is FRRTYBDNLQIGRJ-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H13F3N4O/c1-6(2)8-5-18(10(19)17-8)9-15-3-7(4-16-9)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-[5-(trifluoromethyl)pyrimidin-2-yl]imidazolidin-2-one?
(4S)-4-propan-2-yl-1-[5-(trifluoromethyl)pyrimidin-2-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-[5-(trifluoromethyl)pyrimidin-2-yl]imidazolidin-2-one is sourced from PubChem (CID 86705168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).