1-cyclopropyl-3-[4-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-4-fluoropiperidin-1-yl]pyrrolidin-2-one

C19H28FN5O — CID 175648202

IUPAC1-cyclopropyl-3-[4-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-4-fluoropiperidin-1-yl]pyrrolidin-2-one
SMILESCc1cc(NCC2(F)CCN(C3CCN(C4CC4)C3=O)CC2)nc(C)n1
InChIInChI=1S/C19H28FN5O/c1-13-11-17(23-14(2)22-13)21-12-19(20)6-9-24(10-7-19)16-5-8-25(18(16)26)15-3-4-15/h11,15-16H,3-10,12H2,1-2H3,(H,21,22,23)
InChIKeyBESBPWNPTIVZDW-UHFFFAOYSA-N
MW361.47 g/mol
LogP2.07
Rot. Bonds5

About 1-cyclopropyl-3-[4-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-4-fluoropiperidin-1-yl]pyrrolidin-2-one

1-cyclopropyl-3-[4-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-4-fluoropiperidin-1-yl]pyrrolidin-2-one (PubChem CID 175648202) has the molecular formula C19H28FN5O and a molecular weight of 361.47 g/mol. Its IUPAC name is 1-cyclopropyl-3-[4-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-4-fluoropiperidin-1-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-3-[4-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-4-fluoropiperidin-1-yl]pyrrolidin-2-one
PubChem CID175648202
Molecular FormulaC19H28FN5O
Molecular Weight361.47 g/mol
Exact Mass361.23
IUPAC Name1-cyclopropyl-3-[4-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-4-fluoropiperidin-1-yl]pyrrolidin-2-one
SMILESCc1cc(NCC2(F)CCN(C3CCN(C4CC4)C3=O)CC2)nc(C)n1
InChIInChI=1S/C19H28FN5O/c1-13-11-17(23-14(2)22-13)21-12-19(20)6-9-24(10-7-19)16-5-8-25(18(16)26)15-3-4-15/h11,15-16H,3-10,12H2,1-2H3,(H,21,22,23)
InChIKeyBESBPWNPTIVZDW-UHFFFAOYSA-N
XLogP2.07
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4,6-Dimethyl-pyrimidin-2-yl)-piperidine-4-carboxylic acid cyclopropylamide
CID 3223293
N-cycloheptyl-1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 91809845
N-cyclooctyl-1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 91809897
1-(4,6-Dimethyl-pyrimidin-2-yl)-piperidine-4-carboxylic acid sec-butylamide
CID 645777
N-[1-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide
CID 56707526
N-methyl-1-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)pyrrolidine-3-carboxamide
CID 56713366
N-cyclopropyl-4-(6-methyl-2-propyl-4-pyrimidinyl)-2-piperazinecarboxamide
CID 56903950
N-{2-[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]ethyl}-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 56918316
(4S)-4-amino-1-[2-(dimethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]-N-ethyl-L-prolinamide
CID 70757415
(2S,4S)-4-amino-1-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]-N-ethylpyrrolidine-2-carboxamide
CID 70775966
(4S)-4-amino-N-ethyl-1-[2-pyrrolidin-1-yl-6-(trifluoromethyl)pyrimidin-4-yl]-L-prolinamide
CID 70776865
N-{rel-(3R,4S)-4-cyclopropyl-1-[4-methyl-6-(methylamino)-2-pyrimidinyl]-3-pyrrolidinyl}tetrahydro-2H-pyran-4-carboxamide hydrochloride
CID 72867409

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[4-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-4-fluoropiperidin-1-yl]pyrrolidin-2-one?
The IUPAC name of 1-cyclopropyl-3-[4-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-4-fluoropiperidin-1-yl]pyrrolidin-2-one (CID 175648202) is 1-cyclopropyl-3-[4-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-4-fluoropiperidin-1-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-cyclopropyl-3-[4-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-4-fluoropiperidin-1-yl]pyrrolidin-2-one?
The canonical SMILES for 1-cyclopropyl-3-[4-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-4-fluoropiperidin-1-yl]pyrrolidin-2-one is Cc1cc(NCC2(F)CCN(C3CCN(C4CC4)C3=O)CC2)nc(C)n1.
What is the InChIKey of 1-cyclopropyl-3-[4-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-4-fluoropiperidin-1-yl]pyrrolidin-2-one?
The InChIKey is BESBPWNPTIVZDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28FN5O/c1-13-11-17(23-14(2)22-13)21-12-19(20)6-9-24(10-7-19)16-5-8-25(18(16)26)15-3-4-15/h11,15-16H,3-10,12H2,1-2H3,(H,21,22,23).
What are the key properties of 1-cyclopropyl-3-[4-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-4-fluoropiperidin-1-yl]pyrrolidin-2-one?
1-cyclopropyl-3-[4-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-4-fluoropiperidin-1-yl]pyrrolidin-2-one has a molecular weight of 361.47 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[4-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-4-fluoropiperidin-1-yl]pyrrolidin-2-one is sourced from PubChem (CID 175648202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).