N-[(4-fluorophenyl)methyl]-5-hydroxy-1-[2-[4-(morpholin-4-ylmethyl)phenyl]ethyl]-6-oxopyrimidine-4-carboxamide

C25H27FN4O4 — CID 142236363

IUPACN-[(4-fluorophenyl)methyl]-5-hydroxy-1-[2-[4-(morpholin-4-ylmethyl)phenyl]ethyl]-6-oxopyrimidine-4-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1ncn(CCc2ccc(CN3CCOCC3)cc2)c(=O)c1O
InChIInChI=1S/C25H27FN4O4/c26-21-7-5-19(6-8-21)15-27-24(32)22-23(31)25(33)30(17-28-22)10-9-18-1-3-20(4-2-18)16-29-11-13-34-14-12-29/h1-8,17,31H,9-16H2,(H,27,32)
InChIKeyQOUSCGKVTPEWRB-UHFFFAOYSA-N
MW466.51 g/mol
LogP2.09
Rot. Bonds8

About N-[(4-fluorophenyl)methyl]-5-hydroxy-1-[2-[4-(morpholin-4-ylmethyl)phenyl]ethyl]-6-oxopyrimidine-4-carboxamide

N-[(4-fluorophenyl)methyl]-5-hydroxy-1-[2-[4-(morpholin-4-ylmethyl)phenyl]ethyl]-6-oxopyrimidine-4-carboxamide (PubChem CID 142236363) has the molecular formula C25H27FN4O4 and a molecular weight of 466.51 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-5-hydroxy-1-[2-[4-(morpholin-4-ylmethyl)phenyl]ethyl]-6-oxopyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-5-hydroxy-1-[2-[4-(morpholin-4-ylmethyl)phenyl]ethyl]-6-oxopyrimidine-4-carboxamide
PubChem CID142236363
Molecular FormulaC25H27FN4O4
Molecular Weight466.51 g/mol
Exact Mass466.20
IUPAC NameN-[(4-fluorophenyl)methyl]-5-hydroxy-1-[2-[4-(morpholin-4-ylmethyl)phenyl]ethyl]-6-oxopyrimidine-4-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1ncn(CCc2ccc(CN3CCOCC3)cc2)c(=O)c1O
InChIInChI=1S/C25H27FN4O4/c26-21-7-5-19(6-8-21)15-27-24(32)22-23(31)25(33)30(17-28-22)10-9-18-1-3-20(4-2-18)16-29-11-13-34-14-12-29/h1-8,17,31H,9-16H2,(H,27,32)
InChIKeyQOUSCGKVTPEWRB-UHFFFAOYSA-N
XLogP2.09
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.51
LogP ≤ 52.09
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-[2-[4-(morpholin-4-ylmethyl)phenyl]ethyl]-6-oxopyrimidine-4-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-5-hydroxy-1-[2-[4-(morpholin-4-ylmethyl)phenyl]ethyl]-6-oxopyrimidine-4-carboxamide (CID 142236363) is N-[(4-fluorophenyl)methyl]-5-hydroxy-1-[2-[4-(morpholin-4-ylmethyl)phenyl]ethyl]-6-oxopyrimidine-4-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-5-hydroxy-1-[2-[4-(morpholin-4-ylmethyl)phenyl]ethyl]-6-oxopyrimidine-4-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-5-hydroxy-1-[2-[4-(morpholin-4-ylmethyl)phenyl]ethyl]-6-oxopyrimidine-4-carboxamide is O=C(NCc1ccc(F)cc1)c1ncn(CCc2ccc(CN3CCOCC3)cc2)c(=O)c1O.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-5-hydroxy-1-[2-[4-(morpholin-4-ylmethyl)phenyl]ethyl]-6-oxopyrimidine-4-carboxamide?
The InChIKey is QOUSCGKVTPEWRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN4O4/c26-21-7-5-19(6-8-21)15-27-24(32)22-23(31)25(33)30(17-28-22)10-9-18-1-3-20(4-2-18)16-29-11-13-34-14-12-29/h1-8,17,31H,9-16H2,(H,27,32).
What are the key properties of N-[(4-fluorophenyl)methyl]-5-hydroxy-1-[2-[4-(morpholin-4-ylmethyl)phenyl]ethyl]-6-oxopyrimidine-4-carboxamide?
N-[(4-fluorophenyl)methyl]-5-hydroxy-1-[2-[4-(morpholin-4-ylmethyl)phenyl]ethyl]-6-oxopyrimidine-4-carboxamide has a molecular weight of 466.51 g/mol, XLogP of 2.09, 8 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-[2-[4-(morpholin-4-ylmethyl)phenyl]ethyl]-6-oxopyrimidine-4-carboxamide is sourced from PubChem (CID 142236363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).