N-(4,5-dimethoxy-2-methylphenyl)-6-(4-fluorophenyl)-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide

C20H20FN3O4 — CID 123154235

IUPACN-(4,5-dimethoxy-2-methylphenyl)-6-(4-fluorophenyl)-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide
SMILESCOc1cc(C)c(NC(=O)C2C=NC(=O)NC2c2ccc(F)cc2)cc1OC
InChIInChI=1S/C20H20FN3O4/c1-11-8-16(27-2)17(28-3)9-15(11)23-19(25)14-10-22-20(26)24-18(14)12-4-6-13(21)7-5-12/h4-10,14,18H,1-3H3,(H,23,25)(H,24,26)
InChIKeyYABVDROGQNKWMF-UHFFFAOYSA-N
MW385.40 g/mol
LogP3.24
Rot. Bonds5

About N-(4,5-dimethoxy-2-methylphenyl)-6-(4-fluorophenyl)-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide

N-(4,5-dimethoxy-2-methylphenyl)-6-(4-fluorophenyl)-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide (PubChem CID 123154235) has the molecular formula C20H20FN3O4 and a molecular weight of 385.40 g/mol. Its IUPAC name is N-(4,5-dimethoxy-2-methylphenyl)-6-(4-fluorophenyl)-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(4,5-dimethoxy-2-methylphenyl)-6-(4-fluorophenyl)-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide
PubChem CID123154235
Molecular FormulaC20H20FN3O4
Molecular Weight385.40 g/mol
Exact Mass385.14
IUPAC NameN-(4,5-dimethoxy-2-methylphenyl)-6-(4-fluorophenyl)-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide
SMILESCOc1cc(C)c(NC(=O)C2C=NC(=O)NC2c2ccc(F)cc2)cc1OC
InChIInChI=1S/C20H20FN3O4/c1-11-8-16(27-2)17(28-3)9-15(11)23-19(25)14-10-22-20(26)24-18(14)12-4-6-13(21)7-5-12/h4-10,14,18H,1-3H3,(H,23,25)(H,24,26)
InChIKeyYABVDROGQNKWMF-UHFFFAOYSA-N
XLogP3.24
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.40
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethoxy-2-methylphenyl)-6-(4-fluorophenyl)-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-(4,5-dimethoxy-2-methylphenyl)-6-(4-fluorophenyl)-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide (CID 123154235) is N-(4,5-dimethoxy-2-methylphenyl)-6-(4-fluorophenyl)-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-(4,5-dimethoxy-2-methylphenyl)-6-(4-fluorophenyl)-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-(4,5-dimethoxy-2-methylphenyl)-6-(4-fluorophenyl)-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide is COc1cc(C)c(NC(=O)C2C=NC(=O)NC2c2ccc(F)cc2)cc1OC.
What is the InChIKey of N-(4,5-dimethoxy-2-methylphenyl)-6-(4-fluorophenyl)-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide?
The InChIKey is YABVDROGQNKWMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O4/c1-11-8-16(27-2)17(28-3)9-15(11)23-19(25)14-10-22-20(26)24-18(14)12-4-6-13(21)7-5-12/h4-10,14,18H,1-3H3,(H,23,25)(H,24,26).
What are the key properties of N-(4,5-dimethoxy-2-methylphenyl)-6-(4-fluorophenyl)-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide?
N-(4,5-dimethoxy-2-methylphenyl)-6-(4-fluorophenyl)-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide has a molecular weight of 385.40 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethoxy-2-methylphenyl)-6-(4-fluorophenyl)-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 123154235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).