1-[1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione

C18H22F3N5O2 — CID 155974224

IUPAC1-[1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione
SMILESCc1nc2c(c(N3CCC(N4CC(=O)N(CC(F)(F)F)C4=O)CC3)n1)CCC2
InChIInChI=1S/C18H22F3N5O2/c1-11-22-14-4-2-3-13(14)16(23-11)24-7-5-12(6-8-24)25-9-15(27)26(17(25)28)10-18(19,20)21/h12H,2-10H2,1H3
InChIKeyPLAFNRQFEUTWNF-UHFFFAOYSA-N
MW397.40 g/mol
LogP2.07
Rot. Bonds3

About 1-[1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione

1-[1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione (PubChem CID 155974224) has the molecular formula C18H22F3N5O2 and a molecular weight of 397.40 g/mol. Its IUPAC name is 1-[1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione
PubChem CID155974224
Molecular FormulaC18H22F3N5O2
Molecular Weight397.40 g/mol
Exact Mass397.17
IUPAC Name1-[1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione
SMILESCc1nc2c(c(N3CCC(N4CC(=O)N(CC(F)(F)F)C4=O)CC3)n1)CCC2
InChIInChI=1S/C18H22F3N5O2/c1-11-22-14-4-2-3-13(14)16(23-11)24-7-5-12(6-8-24)25-9-15(27)26(17(25)28)10-18(19,20)21/h12H,2-10H2,1H3
InChIKeyPLAFNRQFEUTWNF-UHFFFAOYSA-N
XLogP2.07
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.40
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione?
The IUPAC name of 1-[1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione (CID 155974224) is 1-[1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 1-[1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione?
The canonical SMILES for 1-[1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione is Cc1nc2c(c(N3CCC(N4CC(=O)N(CC(F)(F)F)C4=O)CC3)n1)CCC2.
What is the InChIKey of 1-[1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione?
The InChIKey is PLAFNRQFEUTWNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3N5O2/c1-11-22-14-4-2-3-13(14)16(23-11)24-7-5-12(6-8-24)25-9-15(27)26(17(25)28)10-18(19,20)21/h12H,2-10H2,1H3.
What are the key properties of 1-[1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione?
1-[1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione has a molecular weight of 397.40 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 155974224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).