N-[(4-fluorophenyl)methyl]-5-hydroxy-2-[(2S,4R)-4-methoxy-1-methylpyrrolidin-2-yl]-1-methyl-6-oxopyrimidine-4-carboxamide

C19H23FN4O4 — CID 54677595

IUPACN-[(4-fluorophenyl)methyl]-5-hydroxy-2-[(2S,4R)-4-methoxy-1-methylpyrrolidin-2-yl]-1-methyl-6-oxopyrimidine-4-carboxamide
SMILESCO[C@@H]1C[C@@H](c2nc(C(=O)NCc3ccc(F)cc3)c(O)c(=O)n2C)N(C)C1
InChIInChI=1S/C19H23FN4O4/c1-23-10-13(28-3)8-14(23)17-22-15(16(25)19(27)24(17)2)18(26)21-9-11-4-6-12(20)7-5-11/h4-7,13-14,25H,8-10H2,1-3H3,(H,21,26)/t13-,14+/m1/s1
InChIKeyPZJGDNRDXHDJEG-KGLIPLIRSA-N
MW390.42 g/mol
LogP0.95
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-5-hydroxy-2-[(2S,4R)-4-methoxy-1-methylpyrrolidin-2-yl]-1-methyl-6-oxopyrimidine-4-carboxamide

N-[(4-fluorophenyl)methyl]-5-hydroxy-2-[(2S,4R)-4-methoxy-1-methylpyrrolidin-2-yl]-1-methyl-6-oxopyrimidine-4-carboxamide (PubChem CID 54677595) has the molecular formula C19H23FN4O4 and a molecular weight of 390.42 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-5-hydroxy-2-[(2S,4R)-4-methoxy-1-methylpyrrolidin-2-yl]-1-methyl-6-oxopyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-5-hydroxy-2-[(2S,4R)-4-methoxy-1-methylpyrrolidin-2-yl]-1-methyl-6-oxopyrimidine-4-carboxamide
PubChem CID54677595
Molecular FormulaC19H23FN4O4
Molecular Weight390.42 g/mol
Exact Mass390.17
IUPAC NameN-[(4-fluorophenyl)methyl]-5-hydroxy-2-[(2S,4R)-4-methoxy-1-methylpyrrolidin-2-yl]-1-methyl-6-oxopyrimidine-4-carboxamide
SMILESCO[C@@H]1C[C@@H](c2nc(C(=O)NCc3ccc(F)cc3)c(O)c(=O)n2C)N(C)C1
InChIInChI=1S/C19H23FN4O4/c1-23-10-13(28-3)8-14(23)17-22-15(16(25)19(27)24(17)2)18(26)21-9-11-4-6-12(20)7-5-11/h4-7,13-14,25H,8-10H2,1-3H3,(H,21,26)/t13-,14+/m1/s1
InChIKeyPZJGDNRDXHDJEG-KGLIPLIRSA-N
XLogP0.95
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.42
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-5-hydroxy-2-[(2S,4R)-4-methoxy-1-methylpyrrolidin-2-yl]-1-methyl-6-oxopyrimidine-4-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-5-hydroxy-2-[(2S,4R)-4-methoxy-1-methylpyrrolidin-2-yl]-1-methyl-6-oxopyrimidine-4-carboxamide (CID 54677595) is N-[(4-fluorophenyl)methyl]-5-hydroxy-2-[(2S,4R)-4-methoxy-1-methylpyrrolidin-2-yl]-1-methyl-6-oxopyrimidine-4-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-5-hydroxy-2-[(2S,4R)-4-methoxy-1-methylpyrrolidin-2-yl]-1-methyl-6-oxopyrimidine-4-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-5-hydroxy-2-[(2S,4R)-4-methoxy-1-methylpyrrolidin-2-yl]-1-methyl-6-oxopyrimidine-4-carboxamide is CO[C@@H]1C[C@@H](c2nc(C(=O)NCc3ccc(F)cc3)c(O)c(=O)n2C)N(C)C1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-5-hydroxy-2-[(2S,4R)-4-methoxy-1-methylpyrrolidin-2-yl]-1-methyl-6-oxopyrimidine-4-carboxamide?
The InChIKey is PZJGDNRDXHDJEG-KGLIPLIRSA-N. The full InChI is InChI=1S/C19H23FN4O4/c1-23-10-13(28-3)8-14(23)17-22-15(16(25)19(27)24(17)2)18(26)21-9-11-4-6-12(20)7-5-11/h4-7,13-14,25H,8-10H2,1-3H3,(H,21,26)/t13-,14+/m1/s1.
What are the key properties of N-[(4-fluorophenyl)methyl]-5-hydroxy-2-[(2S,4R)-4-methoxy-1-methylpyrrolidin-2-yl]-1-methyl-6-oxopyrimidine-4-carboxamide?
N-[(4-fluorophenyl)methyl]-5-hydroxy-2-[(2S,4R)-4-methoxy-1-methylpyrrolidin-2-yl]-1-methyl-6-oxopyrimidine-4-carboxamide has a molecular weight of 390.42 g/mol, XLogP of 0.95, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-5-hydroxy-2-[(2S,4R)-4-methoxy-1-methylpyrrolidin-2-yl]-1-methyl-6-oxopyrimidine-4-carboxamide is sourced from PubChem (CID 54677595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).