2-(2-fluorophenoxy)-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]propanamide

C19H23FN4O2 — CID 122352509

IUPAC2-(2-fluorophenoxy)-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]propanamide
SMILESCc1cc(CNC(=O)C(C)Oc2ccccc2F)nc(N2CCCC2)n1
InChIInChI=1S/C19H23FN4O2/c1-13-11-15(23-19(22-13)24-9-5-6-10-24)12-21-18(25)14(2)26-17-8-4-3-7-16(17)20/h3-4,7-8,11,14H,5-6,9-10,12H2,1-2H3,(H,21,25)
InChIKeyXEDLFDKSKUVGDJ-UHFFFAOYSA-N
MW358.42 g/mol
LogP2.61
Rot. Bonds6

About 2-(2-fluorophenoxy)-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]propanamide

2-(2-fluorophenoxy)-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]propanamide (PubChem CID 122352509) has the molecular formula C19H23FN4O2 and a molecular weight of 358.42 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]propanamide.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]propanamide
PubChem CID122352509
Molecular FormulaC19H23FN4O2
Molecular Weight358.42 g/mol
Exact Mass358.18
IUPAC Name2-(2-fluorophenoxy)-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]propanamide
SMILESCc1cc(CNC(=O)C(C)Oc2ccccc2F)nc(N2CCCC2)n1
InChIInChI=1S/C19H23FN4O2/c1-13-11-15(23-19(22-13)24-9-5-6-10-24)12-21-18(25)14(2)26-17-8-4-3-7-16(17)20/h3-4,7-8,11,14H,5-6,9-10,12H2,1-2H3,(H,21,25)
InChIKeyXEDLFDKSKUVGDJ-UHFFFAOYSA-N
XLogP2.61
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-fluorophenoxy)-N-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]ethyl]propanamide
CID 122294488
2-(2-chlorophenyl)-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]acetamide
CID 122352355
1-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 122352598
2-fluoro-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 122352328
3-fluoro-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]pyridine-4-carboxamide
CID 122352933
N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]propan-2-amine
CID 55114190
(2R)-2-(2-fluorophenoxy)-N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]propanamide
CID 26819769
N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-2-(2-fluorophenoxy)propanamide
CID 121137500
2-(2-fluorophenoxy)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide
CID 45148684
N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]cyclobutanecarboxamide
CID 122352828
(2R)-2-(2-fluorophenoxy)-N-[(4-methoxyphenyl)methyl]propanamide
CID 7892059
1-(3,5-dimethoxyphenyl)-3-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]urea
CID 122352279

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]propanamide?
The IUPAC name of 2-(2-fluorophenoxy)-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]propanamide (CID 122352509) is 2-(2-fluorophenoxy)-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]propanamide.
What is the SMILES notation for 2-(2-fluorophenoxy)-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]propanamide?
The canonical SMILES for 2-(2-fluorophenoxy)-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]propanamide is Cc1cc(CNC(=O)C(C)Oc2ccccc2F)nc(N2CCCC2)n1.
What is the InChIKey of 2-(2-fluorophenoxy)-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]propanamide?
The InChIKey is XEDLFDKSKUVGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O2/c1-13-11-15(23-19(22-13)24-9-5-6-10-24)12-21-18(25)14(2)26-17-8-4-3-7-16(17)20/h3-4,7-8,11,14H,5-6,9-10,12H2,1-2H3,(H,21,25).
What are the key properties of 2-(2-fluorophenoxy)-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]propanamide?
2-(2-fluorophenoxy)-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]propanamide has a molecular weight of 358.42 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]propanamide is sourced from PubChem (CID 122352509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).