2-methoxyethyl 3-butyl-6-[3-[(2-fluorobenzoyl)amino]phenyl]-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate

C26H30FN3O5 — CID 3925734

IUPAC2-methoxyethyl 3-butyl-6-[3-[(2-fluorobenzoyl)amino]phenyl]-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
SMILESCCCCN1C(=O)NC(c2cccc(NC(=O)c3ccccc3F)c2)C(C(=O)OCCOC)=C1C
InChIInChI=1S/C26H30FN3O5/c1-4-5-13-30-17(2)22(25(32)35-15-14-34-3)23(29-26(30)33)18-9-8-10-19(16-18)28-24(31)20-11-6-7-12-21(20)27/h6-12,16,23H,4-5,13-15H2,1-3H3,(H,28,31)(H,29,33)
InChIKeySXRCTVKPCZLSIK-UHFFFAOYSA-N
MW483.54 g/mol
LogP4.41
Rot. Bonds10

About 2-methoxyethyl 3-butyl-6-[3-[(2-fluorobenzoyl)amino]phenyl]-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate

2-methoxyethyl 3-butyl-6-[3-[(2-fluorobenzoyl)amino]phenyl]-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate (PubChem CID 3925734) has the molecular formula C26H30FN3O5 and a molecular weight of 483.54 g/mol. Its IUPAC name is 2-methoxyethyl 3-butyl-6-[3-[(2-fluorobenzoyl)amino]phenyl]-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate.

Molecular Properties

Compound Name2-methoxyethyl 3-butyl-6-[3-[(2-fluorobenzoyl)amino]phenyl]-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
PubChem CID3925734
Molecular FormulaC26H30FN3O5
Molecular Weight483.54 g/mol
Exact Mass483.22
IUPAC Name2-methoxyethyl 3-butyl-6-[3-[(2-fluorobenzoyl)amino]phenyl]-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
SMILESCCCCN1C(=O)NC(c2cccc(NC(=O)c3ccccc3F)c2)C(C(=O)OCCOC)=C1C
InChIInChI=1S/C26H30FN3O5/c1-4-5-13-30-17(2)22(25(32)35-15-14-34-3)23(29-26(30)33)18-9-8-10-19(16-18)28-24(31)20-11-6-7-12-21(20)27/h6-12,16,23H,4-5,13-15H2,1-3H3,(H,28,31)(H,29,33)
InChIKeySXRCTVKPCZLSIK-UHFFFAOYSA-N
XLogP4.41
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.54
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-methoxyethyl 3-butyl-6-[3-[(2-fluorobenzoyl)amino]phenyl]-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

2-methylpropyl 6-[3-[(2-fluorobenzoyl)amino]phenyl]-4-methyl-2-oxo-3-propyl-1,6-dihydropyrimidine-5-carboxylate
CID 42756614
2-methoxyethyl 3-butyl-6-[3-[(2,4-dimethoxybenzoyl)amino]phenyl]-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 42753518
methyl (6S)-6-(3-benzamidophenyl)-3-butyl-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 7271511
ethyl 4-methyl-6-[3-[(2-methylbenzoyl)amino]phenyl]-2-oxo-3-propyl-1,6-dihydropyrimidine-5-carboxylate
CID 42661114
2-methoxyethyl (6R)-6-[3-[(3-chloro-4-fluorophenyl)carbamoylamino]phenyl]-4-methyl-2-oxo-3-propyl-1,6-dihydropyrimidine-5-carboxylate
CID 93098846
methyl (6S)-3-butyl-4-methyl-2-oxo-6-[3-[(4-phenylbenzoyl)amino]phenyl]-1,6-dihydropyrimidine-5-carboxylate
CID 93098677
2-methoxyethyl 4-methyl-2-oxo-3-propyl-6-[3-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1,6-dihydropyrimidine-5-carboxylate
CID 3978255
methyl 3-butyl-4-methyl-6-[3-(2-methylpropanoylamino)phenyl]-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 42756645
methyl (6R)-3-butyl-6-[3-[(3-chlorobenzoyl)amino]phenyl]-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 93098698
methyl 3-butyl-6-[3-(furan-2-carbonylamino)phenyl]-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 3993214
methyl 3-butyl-6-[3-(cyclobutanecarbonylamino)phenyl]-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 42756649
2-methoxyethyl (6S)-3,4-dimethyl-6-[3-[(2-methylbenzoyl)amino]phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate
CID 92517831

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 3-butyl-6-[3-[(2-fluorobenzoyl)amino]phenyl]-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate?
The IUPAC name of 2-methoxyethyl 3-butyl-6-[3-[(2-fluorobenzoyl)amino]phenyl]-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate (CID 3925734) is 2-methoxyethyl 3-butyl-6-[3-[(2-fluorobenzoyl)amino]phenyl]-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate.
What is the SMILES notation for 2-methoxyethyl 3-butyl-6-[3-[(2-fluorobenzoyl)amino]phenyl]-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate?
The canonical SMILES for 2-methoxyethyl 3-butyl-6-[3-[(2-fluorobenzoyl)amino]phenyl]-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate is CCCCN1C(=O)NC(c2cccc(NC(=O)c3ccccc3F)c2)C(C(=O)OCCOC)=C1C.
What is the InChIKey of 2-methoxyethyl 3-butyl-6-[3-[(2-fluorobenzoyl)amino]phenyl]-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate?
The InChIKey is SXRCTVKPCZLSIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN3O5/c1-4-5-13-30-17(2)22(25(32)35-15-14-34-3)23(29-26(30)33)18-9-8-10-19(16-18)28-24(31)20-11-6-7-12-21(20)27/h6-12,16,23H,4-5,13-15H2,1-3H3,(H,28,31)(H,29,33).
What are the key properties of 2-methoxyethyl 3-butyl-6-[3-[(2-fluorobenzoyl)amino]phenyl]-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate?
2-methoxyethyl 3-butyl-6-[3-[(2-fluorobenzoyl)amino]phenyl]-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate has a molecular weight of 483.54 g/mol, XLogP of 4.41, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 3-butyl-6-[3-[(2-fluorobenzoyl)amino]phenyl]-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate is sourced from PubChem (CID 3925734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).