3-[4-(2-cyclopropyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one

C20H26F3N5O — CID 155980352

IUPAC3-[4-(2-cyclopropyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
SMILESO=C1C(N2CCN(c3nc(C4CC4)nc4c3CCC4)CC2)CCN1CC(F)(F)F
InChIInChI=1S/C20H26F3N5O/c21-20(22,23)12-28-7-6-16(19(28)29)26-8-10-27(11-9-26)18-14-2-1-3-15(14)24-17(25-18)13-4-5-13/h13,16H,1-12H2
InChIKeyXPSSBXQGVQHILL-UHFFFAOYSA-N
MW409.46 g/mol
LogP2.13
Rot. Bonds4

About 3-[4-(2-cyclopropyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one

3-[4-(2-cyclopropyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one (PubChem CID 155980352) has the molecular formula C20H26F3N5O and a molecular weight of 409.46 g/mol. Its IUPAC name is 3-[4-(2-cyclopropyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-[4-(2-cyclopropyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
PubChem CID155980352
Molecular FormulaC20H26F3N5O
Molecular Weight409.46 g/mol
Exact Mass409.21
IUPAC Name3-[4-(2-cyclopropyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
SMILESO=C1C(N2CCN(c3nc(C4CC4)nc4c3CCC4)CC2)CCN1CC(F)(F)F
InChIInChI=1S/C20H26F3N5O/c21-20(22,23)12-28-7-6-16(19(28)29)26-8-10-27(11-9-26)18-14-2-1-3-15(14)24-17(25-18)13-4-5-13/h13,16H,1-12H2
InChIKeyXPSSBXQGVQHILL-UHFFFAOYSA-N
XLogP2.13
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.46
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-2-[1-(2-methylpropyl)-3-oxopiperazin-2-yl]acetamide
CID 24818958
1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 53192884
1-(azepan-1-yl)-2-[methyl-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]ethanone
CID 53192886
1-[3-[(2-cyclopropyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]propyl]pyrrolidin-2-one
CID 53192890
2-[(2-cyclopropyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)(methyl)amino]-1-(1-pyrrolidinyl)-1-ethanone
CID 53192901
2-[(2-cyclopropyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)(methyl)amino]-1-morpholino-1-ethanone
CID 53192904
2-[methyl-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]-1-pyrrolidin-1-ylethanone
CID 71836315
(2S)-2-amino-1-[4-[2-[4-amino-6-methyl-2-(trifluoromethyl)pyrimidin-5-yl]ethyl]piperidin-1-yl]propan-1-one
CID 122632302
2-Amino-1-[4-[2-[4-amino-6-methyl-2-(trifluoromethyl)pyrimidin-5-yl]ethyl]piperidin-1-yl]propan-1-one
CID 134364165
1-[4-[2-[4-Amino-6-methyl-2-(trifluoromethyl)pyrimidin-5-yl]ethyl]piperidin-1-yl]-2-(methylamino)propan-1-one
CID 137381034
1-[4-[[(Z)-1,3-diamino-4,4,4-trifluorobut-2-enylidene]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 144990599
(Z)-3-amino-3-cyclopentyl-N'-[2-[2-(3,3,4,4-tetrafluoropyrrolidine-1-carbonyl)pyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]prop-2-enimidamide
CID 144990607

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-cyclopropyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The IUPAC name of 3-[4-(2-cyclopropyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one (CID 155980352) is 3-[4-(2-cyclopropyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one.
What is the SMILES notation for 3-[4-(2-cyclopropyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The canonical SMILES for 3-[4-(2-cyclopropyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one is O=C1C(N2CCN(c3nc(C4CC4)nc4c3CCC4)CC2)CCN1CC(F)(F)F.
What is the InChIKey of 3-[4-(2-cyclopropyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The InChIKey is XPSSBXQGVQHILL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F3N5O/c21-20(22,23)12-28-7-6-16(19(28)29)26-8-10-27(11-9-26)18-14-2-1-3-15(14)24-17(25-18)13-4-5-13/h13,16H,1-12H2.
What are the key properties of 3-[4-(2-cyclopropyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
3-[4-(2-cyclopropyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one has a molecular weight of 409.46 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-cyclopropyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one is sourced from PubChem (CID 155980352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).