3-[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-1-propan-2-ylpyrrolidin-2-one

C19H27F2N5O — CID 155980257

IUPAC3-[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-1-propan-2-ylpyrrolidin-2-one
SMILESCC(C)N1CCC(N2CCN(c3cc(C(F)F)nc(C4CC4)n3)CC2)C1=O
InChIInChI=1S/C19H27F2N5O/c1-12(2)26-6-5-15(19(26)27)24-7-9-25(10-8-24)16-11-14(17(20)21)22-18(23-16)13-3-4-13/h11-13,15,17H,3-10H2,1-2H3
InChIKeyGYCWFXRZDGUOBN-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.42
Rot. Bonds5

About 3-[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-1-propan-2-ylpyrrolidin-2-one

3-[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-1-propan-2-ylpyrrolidin-2-one (PubChem CID 155980257) has the molecular formula C19H27F2N5O and a molecular weight of 379.46 g/mol. Its IUPAC name is 3-[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-1-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name3-[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-1-propan-2-ylpyrrolidin-2-one
PubChem CID155980257
Molecular FormulaC19H27F2N5O
Molecular Weight379.46 g/mol
Exact Mass379.22
IUPAC Name3-[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-1-propan-2-ylpyrrolidin-2-one
SMILESCC(C)N1CCC(N2CCN(c3cc(C(F)F)nc(C4CC4)n3)CC2)C1=O
InChIInChI=1S/C19H27F2N5O/c1-12(2)26-6-5-15(19(26)27)24-7-9-25(10-8-24)16-11-14(17(20)21)22-18(23-16)13-3-4-13/h11-13,15,17H,3-10H2,1-2H3
InChIKeyGYCWFXRZDGUOBN-UHFFFAOYSA-N
XLogP2.42
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(2-tert-butyl-6-ethylpyrimidin-4-yl)piperazin-1-yl]-1-propan-2-ylpyrrolidin-2-one
CID 155974370
5-chloro-4-[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-1H-pyridazin-6-one
CID 175651639
7-[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidine
CID 154829283
5-[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole
CID 154828957
4-[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine
CID 154829246
5-cyclopropyl-3-[[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methyl]-1,2-oxazole
CID 155974648
4-[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine
CID 154829274
N-[1-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]pyrrolidin-3-yl]-6-methoxypyrimidin-4-amine
CID 171996361
(3S)-3-[4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-1-propan-2-ylpiperidin-2-one
CID 97343945
3-[4-[cyclopropyl-[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]-1-propan-2-ylpyrrolidin-2-one
CID 126891000
3-[4-(3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-1,4-diazepan-1-yl]-1-propan-2-ylpyrrolidin-2-one
CID 175648752
3-[4-[(5-bromo-3-pyridinyl)methyl]piperazin-1-yl]-1-propan-2-ylpyrrolidin-2-one
CID 171700803

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-1-propan-2-ylpyrrolidin-2-one?
The IUPAC name of 3-[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-1-propan-2-ylpyrrolidin-2-one (CID 155980257) is 3-[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-1-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for 3-[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-1-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for 3-[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-1-propan-2-ylpyrrolidin-2-one is CC(C)N1CCC(N2CCN(c3cc(C(F)F)nc(C4CC4)n3)CC2)C1=O.
What is the InChIKey of 3-[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-1-propan-2-ylpyrrolidin-2-one?
The InChIKey is GYCWFXRZDGUOBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27F2N5O/c1-12(2)26-6-5-15(19(26)27)24-7-9-25(10-8-24)16-11-14(17(20)21)22-18(23-16)13-3-4-13/h11-13,15,17H,3-10H2,1-2H3.
What are the key properties of 3-[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-1-propan-2-ylpyrrolidin-2-one?
3-[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-1-propan-2-ylpyrrolidin-2-one has a molecular weight of 379.46 g/mol, XLogP of 2.42, 5 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-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-1-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 155980257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).