N-[(4-fluorophenyl)methyl]-5-hydroxy-1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-6-oxopyrimidine-4-carboxamide

C24H25FN4O4 — CID 54703358

IUPACN-[(4-fluorophenyl)methyl]-5-hydroxy-1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-6-oxopyrimidine-4-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1ncn(Cc2ccc(CN3CCOCC3)cc2)c(=O)c1O
InChIInChI=1S/C24H25FN4O4/c25-20-7-5-17(6-8-20)13-26-23(31)21-22(30)24(32)29(16-27-21)15-19-3-1-18(2-4-19)14-28-9-11-33-12-10-28/h1-8,16,30H,9-15H2,(H,26,31)
InChIKeyJJHQXTYDTXEARX-UHFFFAOYSA-N
MW452.49 g/mol
LogP1.90
Rot. Bonds7

About N-[(4-fluorophenyl)methyl]-5-hydroxy-1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-6-oxopyrimidine-4-carboxamide

N-[(4-fluorophenyl)methyl]-5-hydroxy-1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-6-oxopyrimidine-4-carboxamide (PubChem CID 54703358) has the molecular formula C24H25FN4O4 and a molecular weight of 452.49 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-5-hydroxy-1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-6-oxopyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-5-hydroxy-1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-6-oxopyrimidine-4-carboxamide
PubChem CID54703358
Molecular FormulaC24H25FN4O4
Molecular Weight452.49 g/mol
Exact Mass452.19
IUPAC NameN-[(4-fluorophenyl)methyl]-5-hydroxy-1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-6-oxopyrimidine-4-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1ncn(Cc2ccc(CN3CCOCC3)cc2)c(=O)c1O
InChIInChI=1S/C24H25FN4O4/c25-20-7-5-17(6-8-20)13-26-23(31)21-22(30)24(32)29(16-27-21)15-19-3-1-18(2-4-19)14-28-9-11-33-12-10-28/h1-8,16,30H,9-15H2,(H,26,31)
InChIKeyJJHQXTYDTXEARX-UHFFFAOYSA-N
XLogP1.90
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.49
LogP ≤ 51.90
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-1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-6-oxopyrimidine-4-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-5-hydroxy-1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-6-oxopyrimidine-4-carboxamide (CID 54703358) is N-[(4-fluorophenyl)methyl]-5-hydroxy-1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-6-oxopyrimidine-4-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-5-hydroxy-1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-6-oxopyrimidine-4-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-5-hydroxy-1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-6-oxopyrimidine-4-carboxamide is O=C(NCc1ccc(F)cc1)c1ncn(Cc2ccc(CN3CCOCC3)cc2)c(=O)c1O.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-5-hydroxy-1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-6-oxopyrimidine-4-carboxamide?
The InChIKey is JJHQXTYDTXEARX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O4/c25-20-7-5-17(6-8-20)13-26-23(31)21-22(30)24(32)29(16-27-21)15-19-3-1-18(2-4-19)14-28-9-11-33-12-10-28/h1-8,16,30H,9-15H2,(H,26,31).
What are the key properties of N-[(4-fluorophenyl)methyl]-5-hydroxy-1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-6-oxopyrimidine-4-carboxamide?
N-[(4-fluorophenyl)methyl]-5-hydroxy-1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-6-oxopyrimidine-4-carboxamide has a molecular weight of 452.49 g/mol, XLogP of 1.90, 7 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-1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-6-oxopyrimidine-4-carboxamide is sourced from PubChem (CID 54703358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).