5-N-[1-[4-(4-fluorophenyl)phenyl]ethyl]-6-oxo-2-N-(3-oxopropyl)-1H-pyrimidine-2,5-dicarboxamide;methanol

C24H25FN4O5 — CID 145057806

IUPAC5-N-[1-[4-(4-fluorophenyl)phenyl]ethyl]-6-oxo-2-N-(3-oxopropyl)-1H-pyrimidine-2,5-dicarboxamide;methanol
SMILESCC(NC(=O)c1cnc(C(=O)NCCC=O)[nH]c1=O)c1ccc(-c2ccc(F)cc2)cc1.CO
InChIInChI=1S/C23H21FN4O4.CH4O/c1-14(15-3-5-16(6-4-15)17-7-9-18(24)10-8-17)27-21(30)19-13-26-20(28-22(19)31)23(32)25-11-2-12-29;1-2/h3-10,12-14H,2,11H2,1H3,(H,25,32)(H,27,30)(H,26,28,31);2H,1H3
InChIKeySEIHKELWFWEAGQ-UHFFFAOYSA-N
MW468.49 g/mol
LogP1.99
Rot. Bonds8

About 5-N-[1-[4-(4-fluorophenyl)phenyl]ethyl]-6-oxo-2-N-(3-oxopropyl)-1H-pyrimidine-2,5-dicarboxamide;methanol

5-N-[1-[4-(4-fluorophenyl)phenyl]ethyl]-6-oxo-2-N-(3-oxopropyl)-1H-pyrimidine-2,5-dicarboxamide;methanol (PubChem CID 145057806) has the molecular formula C24H25FN4O5 and a molecular weight of 468.49 g/mol. Its IUPAC name is 5-N-[1-[4-(4-fluorophenyl)phenyl]ethyl]-6-oxo-2-N-(3-oxopropyl)-1H-pyrimidine-2,5-dicarboxamide;methanol.

Molecular Properties

Compound Name5-N-[1-[4-(4-fluorophenyl)phenyl]ethyl]-6-oxo-2-N-(3-oxopropyl)-1H-pyrimidine-2,5-dicarboxamide;methanol
PubChem CID145057806
Molecular FormulaC24H25FN4O5
Molecular Weight468.49 g/mol
Exact Mass468.18
IUPAC Name5-N-[1-[4-(4-fluorophenyl)phenyl]ethyl]-6-oxo-2-N-(3-oxopropyl)-1H-pyrimidine-2,5-dicarboxamide;methanol
SMILESCC(NC(=O)c1cnc(C(=O)NCCC=O)[nH]c1=O)c1ccc(-c2ccc(F)cc2)cc1.CO
InChIInChI=1S/C23H21FN4O4.CH4O/c1-14(15-3-5-16(6-4-15)17-7-9-18(24)10-8-17)27-21(30)19-13-26-20(28-22(19)31)23(32)25-11-2-12-29;1-2/h3-10,12-14H,2,11H2,1H3,(H,25,32)(H,27,30)(H,26,28,31);2H,1H3
InChIKeySEIHKELWFWEAGQ-UHFFFAOYSA-N
XLogP1.99
TPSA141.25 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.49
LogP ≤ 51.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-N-[bis(4-methoxyphenyl)methyl]-6-oxo-2-N-(2-oxoethyl)-1H-pyrimidine-2,5-dicarboxamide
CID 129057687
3-[[5-[bis(4-chlorophenyl)methylcarbamoyl]-6-oxo-1H-pyrimidine-2-carbonyl]amino]propanoic acid
CID 121272853
(2R)-3-[[5-[2-[4-(4-fluorophenyl)phenyl]propan-2-ylcarbamoyl]-6-oxo-1H-pyrimidine-2-carbonyl]amino]-2-methylpropanoic acid
CID 130365686
3-[[5-[bis(4-methoxyphenyl)methylcarbamoyl]-6-oxo-1H-pyrimidine-2-carbonyl]amino]propanoic acid
CID 121272870
N-[bis(4-fluorophenyl)methyl]-2-ethyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 90346975
6-bromo-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-oxo-1H-1,8-naphthyridine-3-carboxamide
CID 166831227
6-bromo-N-[1-(4-fluorophenyl)ethyl]-2-oxo-1H-1,8-naphthyridine-3-carboxamide
CID 166831334
2,5-dichloro-N-[1-(4-fluorophenyl)ethyl]pyridine-4-carboxamide
CID 114918156
N-[1-(4-fluorophenyl)ethyl]-5-(4-methylphenyl)-1,2-oxazole-4-carboxamide
CID 59170223
4-fluoro-N-[2-[1-(4-phenylphenyl)ethylcarbamoylamino]ethyl]benzamide
CID 60577844
2-[[5-(benzhydrylcarbamoyl)-6-oxo-1H-pyrimidine-2-carbonyl]amino]ethanesulfonic acid
CID 71533348
N-[1-(4-fluorophenyl)ethyl]-5-nitro-1H-imidazole-2-carboxamide
CID 134157484

Frequently Asked Questions

What is the IUPAC name of 5-N-[1-[4-(4-fluorophenyl)phenyl]ethyl]-6-oxo-2-N-(3-oxopropyl)-1H-pyrimidine-2,5-dicarboxamide;methanol?
The IUPAC name of 5-N-[1-[4-(4-fluorophenyl)phenyl]ethyl]-6-oxo-2-N-(3-oxopropyl)-1H-pyrimidine-2,5-dicarboxamide;methanol (CID 145057806) is 5-N-[1-[4-(4-fluorophenyl)phenyl]ethyl]-6-oxo-2-N-(3-oxopropyl)-1H-pyrimidine-2,5-dicarboxamide;methanol.
What is the SMILES notation for 5-N-[1-[4-(4-fluorophenyl)phenyl]ethyl]-6-oxo-2-N-(3-oxopropyl)-1H-pyrimidine-2,5-dicarboxamide;methanol?
The canonical SMILES for 5-N-[1-[4-(4-fluorophenyl)phenyl]ethyl]-6-oxo-2-N-(3-oxopropyl)-1H-pyrimidine-2,5-dicarboxamide;methanol is CC(NC(=O)c1cnc(C(=O)NCCC=O)[nH]c1=O)c1ccc(-c2ccc(F)cc2)cc1.CO.
What is the InChIKey of 5-N-[1-[4-(4-fluorophenyl)phenyl]ethyl]-6-oxo-2-N-(3-oxopropyl)-1H-pyrimidine-2,5-dicarboxamide;methanol?
The InChIKey is SEIHKELWFWEAGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O4.CH4O/c1-14(15-3-5-16(6-4-15)17-7-9-18(24)10-8-17)27-21(30)19-13-26-20(28-22(19)31)23(32)25-11-2-12-29;1-2/h3-10,12-14H,2,11H2,1H3,(H,25,32)(H,27,30)(H,26,28,31);2H,1H3.
What are the key properties of 5-N-[1-[4-(4-fluorophenyl)phenyl]ethyl]-6-oxo-2-N-(3-oxopropyl)-1H-pyrimidine-2,5-dicarboxamide;methanol?
5-N-[1-[4-(4-fluorophenyl)phenyl]ethyl]-6-oxo-2-N-(3-oxopropyl)-1H-pyrimidine-2,5-dicarboxamide;methanol has a molecular weight of 468.49 g/mol, XLogP of 1.99, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[1-[4-(4-fluorophenyl)phenyl]ethyl]-6-oxo-2-N-(3-oxopropyl)-1H-pyrimidine-2,5-dicarboxamide;methanol is sourced from PubChem (CID 145057806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).