3-[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one

C19H26F3N5O — CID 126890667

IUPAC3-[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
SMILESCc1cc(N(C2CC2)C2CCN(C3CCN(CC(F)(F)F)C3=O)CC2)ncn1
InChIInChI=1S/C19H26F3N5O/c1-13-10-17(24-12-23-13)27(14-2-3-14)15-4-7-25(8-5-15)16-6-9-26(18(16)28)11-19(20,21)22/h10,12,14-16H,2-9,11H2,1H3
InChIKeyRWNPGASVXVUKDF-UHFFFAOYSA-N
MW397.45 g/mol
LogP2.38
Rot. Bonds5

About 3-[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one

3-[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one (PubChem CID 126890667) has the molecular formula C19H26F3N5O and a molecular weight of 397.45 g/mol. Its IUPAC name is 3-[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
PubChem CID126890667
Molecular FormulaC19H26F3N5O
Molecular Weight397.45 g/mol
Exact Mass397.21
IUPAC Name3-[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
SMILESCc1cc(N(C2CC2)C2CCN(C3CCN(CC(F)(F)F)C3=O)CC2)ncn1
InChIInChI=1S/C19H26F3N5O/c1-13-10-17(24-12-23-13)27(14-2-3-14)15-4-7-25(8-5-15)16-6-9-26(18(16)28)11-19(20,21)22/h10,12,14-16H,2-9,11H2,1H3
InChIKeyRWNPGASVXVUKDF-UHFFFAOYSA-N
XLogP2.38
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.45
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one with MolForge

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Related Compounds

(4S)-4-amino-1-[2-(dimethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]-N-ethyl-L-prolinamide
CID 70757415
(4S)-4-amino-N-ethyl-1-[2-pyrrolidin-1-yl-6-(trifluoromethyl)pyrimidin-4-yl]-L-prolinamide
CID 70776865
2-(Dimethylamino)-1-[2-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]ethanone
CID 73440182
3-Ethyl-4-(6-methylpyrimidin-4-yl)piperazin-2-one
CID 75379309
1-(4-(6-Methyl-2-(pyrrolidin-1-yl)pyrimidin-4-yl)piperazin-1-yl)ethanone
CID 112909430
1-(2-{4-[4-Methyl-6-(trifluoromethyl)-2-pyrimidinyl]-1-piperazinyl}-2-oxoethyl)-2-pyrrolidinone
CID 70754091
3-[4-[4-(Trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]pyrrolidin-2-one
CID 71846422
1-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 72056167
5,6-dimethyl-3-(2-oxo-2-(4-(6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)ethyl)pyrimidin-4(3H)-one
CID 91631513
2,2-Dimethyl-1-(4-(6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)propan-1-one
CID 91631570
tert-butyl (2S)-2-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazine-1-carbonyl]pyrrolidine-1-carboxylate
CID 100738154
N,N-dimethyl-4-[4-(pyrrolidin-1-ylcarbonyl)piperidin-1-yl]-6-(trifluoromethyl)pyrimidin-2-amine
CID 132426769

Frequently Asked Questions

What is the IUPAC name of 3-[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The IUPAC name of 3-[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one (CID 126890667) is 3-[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one.
What is the SMILES notation for 3-[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The canonical SMILES for 3-[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one is Cc1cc(N(C2CC2)C2CCN(C3CCN(CC(F)(F)F)C3=O)CC2)ncn1.
What is the InChIKey of 3-[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The InChIKey is RWNPGASVXVUKDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F3N5O/c1-13-10-17(24-12-23-13)27(14-2-3-14)15-4-7-25(8-5-15)16-6-9-26(18(16)28)11-19(20,21)22/h10,12,14-16H,2-9,11H2,1H3.
What are the key properties of 3-[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
3-[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one has a molecular weight of 397.45 g/mol, XLogP of 2.38, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one is sourced from PubChem (CID 126890667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).