[(2S,4S)-4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-(4-propan-2-ylpyrimidin-5-yl)methanone

C19H22FN3O — CID 124889015

IUPAC[(2S,4S)-4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-(4-propan-2-ylpyrimidin-5-yl)methanone
SMILESCC(C)c1ncncc1C(=O)N1C[C@H](c2ccc(F)cc2)C[C@@H]1C
InChIInChI=1S/C19H22FN3O/c1-12(2)18-17(9-21-11-22-18)19(24)23-10-15(8-13(23)3)14-4-6-16(20)7-5-14/h4-7,9,11-13,15H,8,10H2,1-3H3/t13-,15+/m0/s1
InChIKeyUYLAWAHNHVJSTE-DZGCQCFKSA-N
MW327.40 g/mol
LogP3.76
Rot. Bonds3

About [(2S,4S)-4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-(4-propan-2-ylpyrimidin-5-yl)methanone

[(2S,4S)-4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-(4-propan-2-ylpyrimidin-5-yl)methanone (PubChem CID 124889015) has the molecular formula C19H22FN3O and a molecular weight of 327.40 g/mol. Its IUPAC name is [(2S,4S)-4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-(4-propan-2-ylpyrimidin-5-yl)methanone.

Molecular Properties

Compound Name[(2S,4S)-4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-(4-propan-2-ylpyrimidin-5-yl)methanone
PubChem CID124889015
Molecular FormulaC19H22FN3O
Molecular Weight327.40 g/mol
Exact Mass327.17
IUPAC Name[(2S,4S)-4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-(4-propan-2-ylpyrimidin-5-yl)methanone
SMILESCC(C)c1ncncc1C(=O)N1C[C@H](c2ccc(F)cc2)C[C@@H]1C
InChIInChI=1S/C19H22FN3O/c1-12(2)18-17(9-21-11-22-18)19(24)23-10-15(8-13(23)3)14-4-6-16(20)7-5-14/h4-7,9,11-13,15H,8,10H2,1-3H3/t13-,15+/m0/s1
InChIKeyUYLAWAHNHVJSTE-DZGCQCFKSA-N
XLogP3.76
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-(4-propan-2-ylpyrimidin-5-yl)methanone
CID 95580110
2-amino-1-[(2R,4S)-4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]ethanone
CID 124693574
2-fluoro-1-[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-2-methylpropan-1-one
CID 122157842
[4-(aminomethyl)phenyl]-[(2S,4R)-4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]methanone
CID 124693508
(2S)-2-amino-1-[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-4-methylpentan-1-one
CID 119796817
2-[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]propanoic acid
CID 119136186
(3R)-1-(4-propan-2-ylpyrimidine-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 125148639
(2R)-4-(4-propan-2-ylpyrimidine-5-carbonyl)morpholine-2-carboxylic acid
CID 125118699
[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-pyrrolidin-2-ylmethanone
CID 119330969
1-(4-propan-2-ylpyrimidine-5-carbonyl)piperidine-4-carboxylic acid
CID 119349556
[(2R,4R)-4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
CID 125118087
(2-methyl-6-phenylmorpholin-4-yl)-(4-propan-2-ylpyrimidin-5-yl)methanone
CID 56819953

Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-(4-propan-2-ylpyrimidin-5-yl)methanone?
The IUPAC name of [(2S,4S)-4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-(4-propan-2-ylpyrimidin-5-yl)methanone (CID 124889015) is [(2S,4S)-4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-(4-propan-2-ylpyrimidin-5-yl)methanone.
What is the SMILES notation for [(2S,4S)-4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-(4-propan-2-ylpyrimidin-5-yl)methanone?
The canonical SMILES for [(2S,4S)-4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-(4-propan-2-ylpyrimidin-5-yl)methanone is CC(C)c1ncncc1C(=O)N1C[C@H](c2ccc(F)cc2)C[C@@H]1C.
What is the InChIKey of [(2S,4S)-4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-(4-propan-2-ylpyrimidin-5-yl)methanone?
The InChIKey is UYLAWAHNHVJSTE-DZGCQCFKSA-N. The full InChI is InChI=1S/C19H22FN3O/c1-12(2)18-17(9-21-11-22-18)19(24)23-10-15(8-13(23)3)14-4-6-16(20)7-5-14/h4-7,9,11-13,15H,8,10H2,1-3H3/t13-,15+/m0/s1.
What are the key properties of [(2S,4S)-4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-(4-propan-2-ylpyrimidin-5-yl)methanone?
[(2S,4S)-4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-(4-propan-2-ylpyrimidin-5-yl)methanone has a molecular weight of 327.40 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-(4-propan-2-ylpyrimidin-5-yl)methanone is sourced from PubChem (CID 124889015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).