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

C18H21FN4O3 — CID 54678776

IUPACN-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-(1-methylpyrrolidin-2-yl)-6-oxopyrimidine-4-carboxamide
SMILESCN1CCCC1c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C
InChIInChI=1S/C18H21FN4O3/c1-22-9-3-4-13(22)16-21-14(15(24)18(26)23(16)2)17(25)20-10-11-5-7-12(19)8-6-11/h5-8,13,24H,3-4,9-10H2,1-2H3,(H,20,25)
InChIKeyOBOZOOUMEWSYHT-UHFFFAOYSA-N
MW360.39 g/mol
LogP1.32
Rot. Bonds4

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

N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-(1-methylpyrrolidin-2-yl)-6-oxopyrimidine-4-carboxamide (PubChem CID 54678776) has the molecular formula C18H21FN4O3 and a molecular weight of 360.39 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-(1-methylpyrrolidin-2-yl)-6-oxopyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-(1-methylpyrrolidin-2-yl)-6-oxopyrimidine-4-carboxamide
PubChem CID54678776
Molecular FormulaC18H21FN4O3
Molecular Weight360.39 g/mol
Exact Mass360.16
IUPAC NameN-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-(1-methylpyrrolidin-2-yl)-6-oxopyrimidine-4-carboxamide
SMILESCN1CCCC1c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C
InChIInChI=1S/C18H21FN4O3/c1-22-9-3-4-13(22)16-21-14(15(24)18(26)23(16)2)17(25)20-10-11-5-7-12(19)8-6-11/h5-8,13,24H,3-4,9-10H2,1-2H3,(H,20,25)
InChIKeyOBOZOOUMEWSYHT-UHFFFAOYSA-N
XLogP1.32
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-(1-methylpyrrolidin-2-yl)-6-oxopyrimidine-4-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-(1-methylpyrrolidin-2-yl)-6-oxopyrimidine-4-carboxamide (CID 54678776) is N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-(1-methylpyrrolidin-2-yl)-6-oxopyrimidine-4-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-(1-methylpyrrolidin-2-yl)-6-oxopyrimidine-4-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-(1-methylpyrrolidin-2-yl)-6-oxopyrimidine-4-carboxamide is CN1CCCC1c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-(1-methylpyrrolidin-2-yl)-6-oxopyrimidine-4-carboxamide?
The InChIKey is OBOZOOUMEWSYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O3/c1-22-9-3-4-13(22)16-21-14(15(24)18(26)23(16)2)17(25)20-10-11-5-7-12(19)8-6-11/h5-8,13,24H,3-4,9-10H2,1-2H3,(H,20,25).
What are the key properties of N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-(1-methylpyrrolidin-2-yl)-6-oxopyrimidine-4-carboxamide?
N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-(1-methylpyrrolidin-2-yl)-6-oxopyrimidine-4-carboxamide has a molecular weight of 360.39 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-(1-methylpyrrolidin-2-yl)-6-oxopyrimidine-4-carboxamide is sourced from PubChem (CID 54678776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).