N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-1-(2-fluorophenyl)-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide

C23H30FN5O4 — CID 43024714

IUPACN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-1-(2-fluorophenyl)-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)CN(C(=O)C1CC(=O)N(c2ccccc2F)C1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C23H30FN5O4/c1-13(2)10-28(19-20(25)29(11-14(3)4)23(33)26-21(19)31)22(32)15-9-18(30)27(12-15)17-8-6-5-7-16(17)24/h5-8,13-15H,9-12,25H2,1-4H3,(H,26,31,33)
InChIKeySJAHUWOKXWJYFV-UHFFFAOYSA-N
MW459.52 g/mol
LogP1.96
Rot. Bonds7

About N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-1-(2-fluorophenyl)-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide

N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-1-(2-fluorophenyl)-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 43024714) has the molecular formula C23H30FN5O4 and a molecular weight of 459.52 g/mol. Its IUPAC name is N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-1-(2-fluorophenyl)-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-1-(2-fluorophenyl)-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID43024714
Molecular FormulaC23H30FN5O4
Molecular Weight459.52 g/mol
Exact Mass459.23
IUPAC NameN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-1-(2-fluorophenyl)-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)CN(C(=O)C1CC(=O)N(c2ccccc2F)C1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C23H30FN5O4/c1-13(2)10-28(19-20(25)29(11-14(3)4)23(33)26-21(19)31)22(32)15-9-18(30)27(12-15)17-8-6-5-7-16(17)24/h5-8,13-15H,9-12,25H2,1-4H3,(H,26,31,33)
InChIKeySJAHUWOKXWJYFV-UHFFFAOYSA-N
XLogP1.96
TPSA121.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.52
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-1-(2-fluorophenyl)-N-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 43024706
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methylpropyl)-5-oxo-1-(4-propylphenyl)pyrrolidine-3-carboxamide
CID 43059539
N-[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-2-oxoethyl]-1-(2-methoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 42905724
1-(2-fluorophenyl)-N,N-bis(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 18886103
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methylpropyl)cyclopropanecarboxamide
CID 29298957
(3S)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-[2-[(2R)-butan-2-yl]phenyl]-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 26200566
(3S)-N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-1-(2,3-dimethylphenyl)-N-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide
CID 26183566
(3R)-N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-1-(2,3-dimethylphenyl)-N-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide
CID 26183567
(3R)-N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 8016898
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-1-[(4-methylphenyl)methyl]-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 25163328
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methoxyethyl)-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 43049701
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 43059528

Frequently Asked Questions

What is the IUPAC name of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-1-(2-fluorophenyl)-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-1-(2-fluorophenyl)-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide (CID 43024714) is N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-1-(2-fluorophenyl)-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-1-(2-fluorophenyl)-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-1-(2-fluorophenyl)-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide is CC(C)CN(C(=O)C1CC(=O)N(c2ccccc2F)C1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O.
What is the InChIKey of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-1-(2-fluorophenyl)-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is SJAHUWOKXWJYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FN5O4/c1-13(2)10-28(19-20(25)29(11-14(3)4)23(33)26-21(19)31)22(32)15-9-18(30)27(12-15)17-8-6-5-7-16(17)24/h5-8,13-15H,9-12,25H2,1-4H3,(H,26,31,33).
What are the key properties of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-1-(2-fluorophenyl)-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide?
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-1-(2-fluorophenyl)-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 459.52 g/mol, XLogP of 1.96, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-1-(2-fluorophenyl)-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 43024714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).