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

C20H22FN5O4 — CID 54681852

IUPACN-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-(1-oxa-3,8-diazaspiro[4.5]dec-2-en-8-yl)-6-oxopyrimidine-4-carboxamide
SMILESCn1c(N2CCC3(CC2)CN=CO3)nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O
InChIInChI=1S/C20H22FN5O4/c1-25-18(29)16(27)15(17(28)23-10-13-2-4-14(21)5-3-13)24-19(25)26-8-6-20(7-9-26)11-22-12-30-20/h2-5,12,27H,6-11H2,1H3,(H,23,28)
InChIKeyGJQMODHLCRZNNM-UHFFFAOYSA-N
MW415.43 g/mol
LogP0.95
Rot. Bonds4

About 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

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 (PubChem CID 54681852) has the molecular formula C20H22FN5O4 and a molecular weight of 415.43 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-(1-oxa-3,8-diazaspiro[4.5]dec-2-en-8-yl)-6-oxopyrimidine-4-carboxamide
PubChem CID54681852
Molecular FormulaC20H22FN5O4
Molecular Weight415.43 g/mol
Exact Mass415.17
IUPAC NameN-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-(1-oxa-3,8-diazaspiro[4.5]dec-2-en-8-yl)-6-oxopyrimidine-4-carboxamide
SMILESCn1c(N2CCC3(CC2)CN=CO3)nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O
InChIInChI=1S/C20H22FN5O4/c1-25-18(29)16(27)15(17(28)23-10-13-2-4-14(21)5-3-13)24-19(25)26-8-6-20(7-9-26)11-22-12-30-20/h2-5,12,27H,6-11H2,1H3,(H,23,28)
InChIKeyGJQMODHLCRZNNM-UHFFFAOYSA-N
XLogP0.95
TPSA109.05 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.43
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxo-2-[4-(2-oxoimidazolidine-1-carbonyl)piperazin-1-yl]pyrimidine-4-carboxamide
CID 54681994
N-[(4-fluorophenyl)methyl]-5-hydroxy-2-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]-1-methyl-6-oxopyrimidine-4-carboxamide
CID 54682044
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
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
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-fluorophenyl)methyl]-5-hydroxy-2-[1-(2-hydroxyethoxy)cyclobutyl]-1-methyl-6-oxopyrimidine-4-carboxamide
CID 58894073
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]-5-hydroxy-1-methyl-2-[(2S)-5-methylpyrrolidin-2-yl]-6-oxopyrimidine-4-carboxamide
CID 54677637
1-butyl-N-[(4-fluorophenyl)methyl]-6-hydroxy-5-oxo-2,3-dihydroimidazo[1,2-a]pyrimidine-7-carboxamide
CID 54680806
N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-[4-(morpholin-4-ylmethyl)phenyl]-6-oxopyrimidine-4-carboxamide
CID 54712036

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cn1c(N2CCC3(CC2)CN=CO3)nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O.
What is the InChIKey of 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?
The InChIKey is GJQMODHLCRZNNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN5O4/c1-25-18(29)16(27)15(17(28)23-10-13-2-4-14(21)5-3-13)24-19(25)26-8-6-20(7-9-26)11-22-12-30-20/h2-5,12,27H,6-11H2,1H3,(H,23,28).
What are the key properties of 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?
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 has a molecular weight of 415.43 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 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-2-(1-oxa-3,8-diazaspiro[4.5]dec-2-en-8-yl)-6-oxopyrimidine-4-carboxamide is sourced from PubChem (CID 54681852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).