N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxo-2-[4-(2-oxoimidazolidine-1-carbonyl)piperazin-1-yl]pyrimidine-4-carboxamide

C21H24FN7O5 — CID 54681994

IUPACN-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxo-2-[4-(2-oxoimidazolidine-1-carbonyl)piperazin-1-yl]pyrimidine-4-carboxamide
SMILESCn1c(N2CCN(C(=O)N3CCNC3=O)CC2)nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O
InChIInChI=1S/C21H24FN7O5/c1-26-18(32)16(30)15(17(31)24-12-13-2-4-14(22)5-3-13)25-19(26)27-8-10-28(11-9-27)21(34)29-7-6-23-20(29)33/h2-5,30H,6-12H2,1H3,(H,23,33)(H,24,31)
InChIKeyGJXIXAWRCFJVGS-UHFFFAOYSA-N
MW473.47 g/mol
LogP-0.18
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxo-2-[4-(2-oxoimidazolidine-1-carbonyl)piperazin-1-yl]pyrimidine-4-carboxamide

N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxo-2-[4-(2-oxoimidazolidine-1-carbonyl)piperazin-1-yl]pyrimidine-4-carboxamide (PubChem CID 54681994) has the molecular formula C21H24FN7O5 and a molecular weight of 473.47 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxo-2-[4-(2-oxoimidazolidine-1-carbonyl)piperazin-1-yl]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxo-2-[4-(2-oxoimidazolidine-1-carbonyl)piperazin-1-yl]pyrimidine-4-carboxamide
PubChem CID54681994
Molecular FormulaC21H24FN7O5
Molecular Weight473.47 g/mol
Exact Mass473.18
IUPAC NameN-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxo-2-[4-(2-oxoimidazolidine-1-carbonyl)piperazin-1-yl]pyrimidine-4-carboxamide
SMILESCn1c(N2CCN(C(=O)N3CCNC3=O)CC2)nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O
InChIInChI=1S/C21H24FN7O5/c1-26-18(32)16(30)15(17(31)24-12-13-2-4-14(22)5-3-13)25-19(26)27-8-10-28(11-9-27)21(34)29-7-6-23-20(29)33/h2-5,30H,6-12H2,1H3,(H,23,33)(H,24,31)
InChIKeyGJXIXAWRCFJVGS-UHFFFAOYSA-N
XLogP-0.18
TPSA140.11 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.47
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(4-fluorophenyl)methyl]-5-hydroxy-2-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]-1-methyl-6-oxopyrimidine-4-carboxamide
CID 54682044
N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-(1-oxa-3,8-diazaspiro[4.5]dec-2-en-8-yl)-6-oxopyrimidine-4-carboxamide
CID 54681852
N-[(4-fluorophenyl)methyl]-6-hydroxy-1-methyl-5-oxo-2,3-dihydroimidazo[1,2-a]pyrimidine-7-carboxamide
CID 54680789
N-[(4-fluoro-3-methylphenyl)methyl]-5-hydroxy-1-methyl-2-morpholin-4-yl-6-oxopyrimidine-4-carboxamide
CID 54682039
3-[4-[(4-fluorophenyl)methylcarbamoyl]-5-hydroxy-1-methyl-6-oxopyrimidin-2-yl]-4-methylpiperazine-1-carboxylic acid
CID 54711986
2-(1,3-dioxo-2,9-diazaspiro[4.5]decan-9-yl)-N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide
CID 54680887
2-cyclopentyl-N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide
CID 146000243
N-[(3,4-dichlorophenyl)methyl]-5-hydroxy-1-methyl-2-morpholin-4-yl-6-oxopyrimidine-4-carboxamide
CID 54682024
N-[(4-fluoro-3-methylphenyl)methyl]-5-hydroxy-1-methyl-6-oxo-2-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 54682023
N-[(4-fluorophenyl)methyl]-3-hydroxy-7-(4-methylpiperazin-1-yl)-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
CID 57494495
N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-[(2S)-3-methylpyrrolidin-2-yl]-6-oxopyrimidine-4-carboxamide
CID 54677635
N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-[(2S)-5-methylpyrrolidin-2-yl]-6-oxopyrimidine-4-carboxamide
CID 54677637

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxo-2-[4-(2-oxoimidazolidine-1-carbonyl)piperazin-1-yl]pyrimidine-4-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxo-2-[4-(2-oxoimidazolidine-1-carbonyl)piperazin-1-yl]pyrimidine-4-carboxamide (CID 54681994) is N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxo-2-[4-(2-oxoimidazolidine-1-carbonyl)piperazin-1-yl]pyrimidine-4-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxo-2-[4-(2-oxoimidazolidine-1-carbonyl)piperazin-1-yl]pyrimidine-4-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxo-2-[4-(2-oxoimidazolidine-1-carbonyl)piperazin-1-yl]pyrimidine-4-carboxamide is Cn1c(N2CCN(C(=O)N3CCNC3=O)CC2)nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxo-2-[4-(2-oxoimidazolidine-1-carbonyl)piperazin-1-yl]pyrimidine-4-carboxamide?
The InChIKey is GJXIXAWRCFJVGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN7O5/c1-26-18(32)16(30)15(17(31)24-12-13-2-4-14(22)5-3-13)25-19(26)27-8-10-28(11-9-27)21(34)29-7-6-23-20(29)33/h2-5,30H,6-12H2,1H3,(H,23,33)(H,24,31).
What are the key properties of N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxo-2-[4-(2-oxoimidazolidine-1-carbonyl)piperazin-1-yl]pyrimidine-4-carboxamide?
N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxo-2-[4-(2-oxoimidazolidine-1-carbonyl)piperazin-1-yl]pyrimidine-4-carboxamide has a molecular weight of 473.47 g/mol, XLogP of -0.18, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxo-2-[4-(2-oxoimidazolidine-1-carbonyl)piperazin-1-yl]pyrimidine-4-carboxamide is sourced from PubChem (CID 54681994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).