1-[1-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)acetyl]piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione

C19H22F3N5O4 — CID 126852974

IUPAC1-[1-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)acetyl]piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione
SMILESO=C(Cn1cnc(C2CC2)cc1=O)N1CCC(N2CC(=O)N(CC(F)(F)F)C2=O)CC1
InChIInChI=1S/C19H22F3N5O4/c20-19(21,22)10-27-17(30)9-26(18(27)31)13-3-5-24(6-4-13)16(29)8-25-11-23-14(7-15(25)28)12-1-2-12/h7,11-13H,1-6,8-10H2
InChIKeyCTVSYORKKZAMJJ-UHFFFAOYSA-N
MW441.41 g/mol
LogP0.94
Rot. Bonds5

About 1-[1-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)acetyl]piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione

1-[1-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)acetyl]piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione (PubChem CID 126852974) has the molecular formula C19H22F3N5O4 and a molecular weight of 441.41 g/mol. Its IUPAC name is 1-[1-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)acetyl]piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[1-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)acetyl]piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione
PubChem CID126852974
Molecular FormulaC19H22F3N5O4
Molecular Weight441.41 g/mol
Exact Mass441.16
IUPAC Name1-[1-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)acetyl]piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione
SMILESO=C(Cn1cnc(C2CC2)cc1=O)N1CCC(N2CC(=O)N(CC(F)(F)F)C2=O)CC1
InChIInChI=1S/C19H22F3N5O4/c20-19(21,22)10-27-17(30)9-26(18(27)31)13-3-5-24(6-4-13)16(29)8-25-11-23-14(7-15(25)28)12-1-2-12/h7,11-13H,1-6,8-10H2
InChIKeyCTVSYORKKZAMJJ-UHFFFAOYSA-N
XLogP0.94
TPSA95.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.41
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

CID 119103227
CID 119103227
CID 126941842
CID 126941842
CID 139028946
CID 139028946
CID 126852924
CID 126852924

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)acetyl]piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione?
The IUPAC name of 1-[1-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)acetyl]piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione (CID 126852974) is 1-[1-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)acetyl]piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 1-[1-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)acetyl]piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione?
The canonical SMILES for 1-[1-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)acetyl]piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione is O=C(Cn1cnc(C2CC2)cc1=O)N1CCC(N2CC(=O)N(CC(F)(F)F)C2=O)CC1.
What is the InChIKey of 1-[1-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)acetyl]piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione?
The InChIKey is CTVSYORKKZAMJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N5O4/c20-19(21,22)10-27-17(30)9-26(18(27)31)13-3-5-24(6-4-13)16(29)8-25-11-23-14(7-15(25)28)12-1-2-12/h7,11-13H,1-6,8-10H2.
What are the key properties of 1-[1-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)acetyl]piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione?
1-[1-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)acetyl]piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione has a molecular weight of 441.41 g/mol, XLogP of 0.94, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)acetyl]piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 126852974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).