4-[(2S,4S)-4-fluoro-2-[[methyl-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]amino]methyl]pyrrolidin-1-yl]-N,N-dimethylpyrimidin-2-amine

C17H26FN7O — CID 128991754

IUPAC4-[(2S,4S)-4-fluoro-2-[[methyl-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]amino]methyl]pyrrolidin-1-yl]-N,N-dimethylpyrimidin-2-amine
SMILESCc1nnc(C(C)N(C)C[C@@H]2C[C@H](F)CN2c2ccnc(N(C)C)n2)o1
InChIInChI=1S/C17H26FN7O/c1-11(16-22-21-12(2)26-16)24(5)10-14-8-13(18)9-25(14)15-6-7-19-17(20-15)23(3)4/h6-7,11,13-14H,8-10H2,1-5H3/t11?,13-,14-/m0/s1
InChIKeyAYLLKQVZZKPRDU-VNXPTHQBSA-N
MW363.44 g/mol
LogP1.84
Rot. Bonds6

About 4-[(2S,4S)-4-fluoro-2-[[methyl-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]amino]methyl]pyrrolidin-1-yl]-N,N-dimethylpyrimidin-2-amine

4-[(2S,4S)-4-fluoro-2-[[methyl-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]amino]methyl]pyrrolidin-1-yl]-N,N-dimethylpyrimidin-2-amine (PubChem CID 128991754) has the molecular formula C17H26FN7O and a molecular weight of 363.44 g/mol. Its IUPAC name is 4-[(2S,4S)-4-fluoro-2-[[methyl-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]amino]methyl]pyrrolidin-1-yl]-N,N-dimethylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[(2S,4S)-4-fluoro-2-[[methyl-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]amino]methyl]pyrrolidin-1-yl]-N,N-dimethylpyrimidin-2-amine
PubChem CID128991754
Molecular FormulaC17H26FN7O
Molecular Weight363.44 g/mol
Exact Mass363.22
IUPAC Name4-[(2S,4S)-4-fluoro-2-[[methyl-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]amino]methyl]pyrrolidin-1-yl]-N,N-dimethylpyrimidin-2-amine
SMILESCc1nnc(C(C)N(C)C[C@@H]2C[C@H](F)CN2c2ccnc(N(C)C)n2)o1
InChIInChI=1S/C17H26FN7O/c1-11(16-22-21-12(2)26-16)24(5)10-14-8-13(18)9-25(14)15-6-7-19-17(20-15)23(3)4/h6-7,11,13-14H,8-10H2,1-5H3/t11?,13-,14-/m0/s1
InChIKeyAYLLKQVZZKPRDU-VNXPTHQBSA-N
XLogP1.84
TPSA74.42 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[(2S,4S)-4-fluoro-2-[[methyl-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]amino]methyl]pyrrolidin-1-yl]-N,N-dimethylpyrimidin-2-amine with MolForge

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Related Compounds

N-[[(2S,4S)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-fluoropyrrolidin-2-yl]methyl]-N,5-dimethyl-1,3-oxazole-4-carboxamide
CID 128991738
5-[[[(2S,4S)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-fluoropyrrolidin-2-yl]methyl-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120905363
(1S)-N-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]ethanamine
CID 95600314
3-[[(2S,4S)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-fluoropyrrolidin-2-yl]methylamino]-5,6-dimethylpyridazine-4-carbonitrile
CID 128990672
3-[[[(2S,4S)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-fluoropyrrolidin-2-yl]methyl-methylamino]methyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 137175361
4-[(2S,4S)-4-fluoro-2-[[[(3R)-thiolan-3-yl]amino]methyl]pyrrolidin-1-yl]-N,N-dimethylpyrimidin-2-amine
CID 129342966
N-[[(2S,4S)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-fluoropyrrolidin-2-yl]methyl]-N-methyl-2-[(2S)-oxan-2-yl]acetamide
CID 129330753
N-[[(2S,4S)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-fluoropyrrolidin-2-yl]methyl]-N-methyl-2-[(3R)-5-oxooxolan-3-yl]acetamide
CID 129339960
N-[[(2S,4S)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-fluoropyrrolidin-2-yl]methyl]-N-methyl-3-pyrazol-1-ylpropanamide
CID 128991265
4-[(2S,4S)-4-fluoro-2-[[(1-methylpyrrol-3-yl)methylamino]methyl]pyrrolidin-1-yl]-N,N-dimethylpyrimidin-2-amine
CID 167746082
N-[[(2S,4S)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-fluoropyrrolidin-2-yl]methyl]-3-(furan-3-yl)propanamide
CID 128993928
1-[2-[[(2S,4S)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-fluoropyrrolidin-2-yl]methyl-methylamino]acetyl]imidazolidin-2-one
CID 128972445

Frequently Asked Questions

What is the IUPAC name of 4-[(2S,4S)-4-fluoro-2-[[methyl-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]amino]methyl]pyrrolidin-1-yl]-N,N-dimethylpyrimidin-2-amine?
The IUPAC name of 4-[(2S,4S)-4-fluoro-2-[[methyl-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]amino]methyl]pyrrolidin-1-yl]-N,N-dimethylpyrimidin-2-amine (CID 128991754) is 4-[(2S,4S)-4-fluoro-2-[[methyl-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]amino]methyl]pyrrolidin-1-yl]-N,N-dimethylpyrimidin-2-amine.
What is the SMILES notation for 4-[(2S,4S)-4-fluoro-2-[[methyl-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]amino]methyl]pyrrolidin-1-yl]-N,N-dimethylpyrimidin-2-amine?
The canonical SMILES for 4-[(2S,4S)-4-fluoro-2-[[methyl-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]amino]methyl]pyrrolidin-1-yl]-N,N-dimethylpyrimidin-2-amine is Cc1nnc(C(C)N(C)C[C@@H]2C[C@H](F)CN2c2ccnc(N(C)C)n2)o1.
What is the InChIKey of 4-[(2S,4S)-4-fluoro-2-[[methyl-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]amino]methyl]pyrrolidin-1-yl]-N,N-dimethylpyrimidin-2-amine?
The InChIKey is AYLLKQVZZKPRDU-VNXPTHQBSA-N. The full InChI is InChI=1S/C17H26FN7O/c1-11(16-22-21-12(2)26-16)24(5)10-14-8-13(18)9-25(14)15-6-7-19-17(20-15)23(3)4/h6-7,11,13-14H,8-10H2,1-5H3/t11?,13-,14-/m0/s1.
What are the key properties of 4-[(2S,4S)-4-fluoro-2-[[methyl-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]amino]methyl]pyrrolidin-1-yl]-N,N-dimethylpyrimidin-2-amine?
4-[(2S,4S)-4-fluoro-2-[[methyl-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]amino]methyl]pyrrolidin-1-yl]-N,N-dimethylpyrimidin-2-amine has a molecular weight of 363.44 g/mol, XLogP of 1.84, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S,4S)-4-fluoro-2-[[methyl-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]amino]methyl]pyrrolidin-1-yl]-N,N-dimethylpyrimidin-2-amine is sourced from PubChem (CID 128991754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).