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

C19H30FN5O — CID 175648261

IUPAC3-[4-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-4-fluoropiperidin-1-yl]-1-propan-2-ylpyrrolidin-2-one
SMILESCc1cc(NCC2(F)CCN(C3CCN(C(C)C)C3=O)CC2)nc(C)n1
InChIInChI=1S/C19H30FN5O/c1-13(2)25-8-5-16(18(25)26)24-9-6-19(20,7-10-24)12-21-17-11-14(3)22-15(4)23-17/h11,13,16H,5-10,12H2,1-4H3,(H,21,22,23)
InChIKeyRNNMGLCGVBAWEM-UHFFFAOYSA-N
MW363.48 g/mol
LogP2.32
Rot. Bonds5

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

3-[4-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-4-fluoropiperidin-1-yl]-1-propan-2-ylpyrrolidin-2-one (PubChem CID 175648261) has the molecular formula C19H30FN5O and a molecular weight of 363.48 g/mol. Its IUPAC name is 3-[4-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-4-fluoropiperidin-1-yl]-1-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name3-[4-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-4-fluoropiperidin-1-yl]-1-propan-2-ylpyrrolidin-2-one
PubChem CID175648261
Molecular FormulaC19H30FN5O
Molecular Weight363.48 g/mol
Exact Mass363.24
IUPAC Name3-[4-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-4-fluoropiperidin-1-yl]-1-propan-2-ylpyrrolidin-2-one
SMILESCc1cc(NCC2(F)CCN(C3CCN(C(C)C)C3=O)CC2)nc(C)n1
InChIInChI=1S/C19H30FN5O/c1-13(2)25-8-5-16(18(25)26)24-9-6-19(20,7-10-24)12-21-17-11-14(3)22-15(4)23-17/h11,13,16H,5-10,12H2,1-4H3,(H,21,22,23)
InChIKeyRNNMGLCGVBAWEM-UHFFFAOYSA-N
XLogP2.32
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[Cyano-(4,6-dimethyl-2-pyrimidinyl)amino]-1-oxoethyl]-4-piperidinecarboxamide
CID 666064
N-butyl-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide
CID 3223312
N-cycloheptyl-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 91892455
1-(4,6-Dimethyl-pyrimidin-2-yl)-piperidine-4-carboxylic acid propylamide
CID 655911
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
Cyclohexyl(4-(6-methyl-2-(pyrrolidin-1-yl)pyrimidin-4-yl)piperazin-1-yl)methanone
CID 53047578
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

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-4-fluoropiperidin-1-yl]-1-propan-2-ylpyrrolidin-2-one?
The IUPAC name of 3-[4-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-4-fluoropiperidin-1-yl]-1-propan-2-ylpyrrolidin-2-one (CID 175648261) is 3-[4-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-4-fluoropiperidin-1-yl]-1-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for 3-[4-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-4-fluoropiperidin-1-yl]-1-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for 3-[4-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-4-fluoropiperidin-1-yl]-1-propan-2-ylpyrrolidin-2-one is Cc1cc(NCC2(F)CCN(C3CCN(C(C)C)C3=O)CC2)nc(C)n1.
What is the InChIKey of 3-[4-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-4-fluoropiperidin-1-yl]-1-propan-2-ylpyrrolidin-2-one?
The InChIKey is RNNMGLCGVBAWEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30FN5O/c1-13(2)25-8-5-16(18(25)26)24-9-6-19(20,7-10-24)12-21-17-11-14(3)22-15(4)23-17/h11,13,16H,5-10,12H2,1-4H3,(H,21,22,23).
What are the key properties of 3-[4-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-4-fluoropiperidin-1-yl]-1-propan-2-ylpyrrolidin-2-one?
3-[4-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-4-fluoropiperidin-1-yl]-1-propan-2-ylpyrrolidin-2-one has a molecular weight of 363.48 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-4-fluoropiperidin-1-yl]-1-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 175648261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).