2-(3-fluorophenyl)-N-[[2-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]acetamide

C19H23FN4O — CID 125008457

IUPAC2-(3-fluorophenyl)-N-[[2-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]acetamide
SMILESCc1ncc(CNC(=O)Cc2cccc(F)c2)c([C@@H]2CCCN2C)n1
InChIInChI=1S/C19H23FN4O/c1-13-21-11-15(19(23-13)17-7-4-8-24(17)2)12-22-18(25)10-14-5-3-6-16(20)9-14/h3,5-6,9,11,17H,4,7-8,10,12H2,1-2H3,(H,22,25)/t17-/m0/s1
InChIKeyUVCQORSALYQSLU-KRWDZBQOSA-N
MW342.42 g/mol
LogP2.55
Rot. Bonds5

About 2-(3-fluorophenyl)-N-[[2-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]acetamide

2-(3-fluorophenyl)-N-[[2-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]acetamide (PubChem CID 125008457) has the molecular formula C19H23FN4O and a molecular weight of 342.42 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-N-[[2-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-N-[[2-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]acetamide
PubChem CID125008457
Molecular FormulaC19H23FN4O
Molecular Weight342.42 g/mol
Exact Mass342.19
IUPAC Name2-(3-fluorophenyl)-N-[[2-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]acetamide
SMILESCc1ncc(CNC(=O)Cc2cccc(F)c2)c([C@@H]2CCCN2C)n1
InChIInChI=1S/C19H23FN4O/c1-13-21-11-15(19(23-13)17-7-4-8-24(17)2)12-22-18(25)10-14-5-3-6-16(20)9-14/h3,5-6,9,11,17H,4,7-8,10,12H2,1-2H3,(H,22,25)/t17-/m0/s1
InChIKeyUVCQORSALYQSLU-KRWDZBQOSA-N
XLogP2.55
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-N-[[2-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]acetamide?
The IUPAC name of 2-(3-fluorophenyl)-N-[[2-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]acetamide (CID 125008457) is 2-(3-fluorophenyl)-N-[[2-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]acetamide.
What is the SMILES notation for 2-(3-fluorophenyl)-N-[[2-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]acetamide?
The canonical SMILES for 2-(3-fluorophenyl)-N-[[2-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]acetamide is Cc1ncc(CNC(=O)Cc2cccc(F)c2)c([C@@H]2CCCN2C)n1.
What is the InChIKey of 2-(3-fluorophenyl)-N-[[2-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]acetamide?
The InChIKey is UVCQORSALYQSLU-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H23FN4O/c1-13-21-11-15(19(23-13)17-7-4-8-24(17)2)12-22-18(25)10-14-5-3-6-16(20)9-14/h3,5-6,9,11,17H,4,7-8,10,12H2,1-2H3,(H,22,25)/t17-/m0/s1.
What are the key properties of 2-(3-fluorophenyl)-N-[[2-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]acetamide?
2-(3-fluorophenyl)-N-[[2-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]acetamide has a molecular weight of 342.42 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-N-[[2-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]acetamide is sourced from PubChem (CID 125008457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).