4-(4-ethoxyphenyl)-N-(2-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide

C20H20FN3O3 — CID 2945156

IUPAC4-(4-ethoxyphenyl)-N-(2-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCCOc1ccc(C2NC(=O)NC(C)=C2C(=O)Nc2ccccc2F)cc1
InChIInChI=1S/C20H20FN3O3/c1-3-27-14-10-8-13(9-11-14)18-17(12(2)22-20(26)24-18)19(25)23-16-7-5-4-6-15(16)21/h4-11,18H,3H2,1-2H3,(H,23,25)(H2,22,24,26)
InChIKeyVUPXNQOSIFMXFM-UHFFFAOYSA-N
MW369.40 g/mol
LogP3.49
Rot. Bonds5

About 4-(4-ethoxyphenyl)-N-(2-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide

4-(4-ethoxyphenyl)-N-(2-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide (PubChem CID 2945156) has the molecular formula C20H20FN3O3 and a molecular weight of 369.40 g/mol. Its IUPAC name is 4-(4-ethoxyphenyl)-N-(2-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-(4-ethoxyphenyl)-N-(2-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
PubChem CID2945156
Molecular FormulaC20H20FN3O3
Molecular Weight369.40 g/mol
Exact Mass369.15
IUPAC Name4-(4-ethoxyphenyl)-N-(2-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCCOc1ccc(C2NC(=O)NC(C)=C2C(=O)Nc2ccccc2F)cc1
InChIInChI=1S/C20H20FN3O3/c1-3-27-14-10-8-13(9-11-14)18-17(12(2)22-20(26)24-18)19(25)23-16-7-5-4-6-15(16)21/h4-11,18H,3H2,1-2H3,(H,23,25)(H2,22,24,26)
InChIKeyVUPXNQOSIFMXFM-UHFFFAOYSA-N
XLogP3.49
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-N-(2-ethoxyphenyl)-4-(4-ethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 40567086
(4R)-N-(4-bromophenyl)-4-(4-ethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 40840577
4-(4-methoxyphenyl)-6-methyl-N-(2-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 2849941
(4S)-4-(4-butoxyphenyl)-6-methyl-2-oxo-N-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 7858309
N-(2-fluorophenyl)-4-(4-methoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 16957471
(4R)-N-(2-fluorophenyl)-6-methyl-2-oxo-4-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 27600955
(4R)-N-(2-fluorophenyl)-4-(4-fluorophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 7164273
(4R)-4-(4-fluorophenyl)-6-methyl-2-oxo-N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 7734081
(4S)-N-(2-ethoxyphenyl)-4-(3-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 989698
N-(2-ethoxyphenyl)-4-(4-fluorophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 3514232
(4R)-4-(4-ethylphenyl)-N-(2-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 7715290
(4R)-6-methyl-N-(2-methylphenyl)-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 695897

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxyphenyl)-N-(2-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The IUPAC name of 4-(4-ethoxyphenyl)-N-(2-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide (CID 2945156) is 4-(4-ethoxyphenyl)-N-(2-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 4-(4-ethoxyphenyl)-N-(2-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 4-(4-ethoxyphenyl)-N-(2-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide is CCOc1ccc(C2NC(=O)NC(C)=C2C(=O)Nc2ccccc2F)cc1.
What is the InChIKey of 4-(4-ethoxyphenyl)-N-(2-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The InChIKey is VUPXNQOSIFMXFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O3/c1-3-27-14-10-8-13(9-11-14)18-17(12(2)22-20(26)24-18)19(25)23-16-7-5-4-6-15(16)21/h4-11,18H,3H2,1-2H3,(H,23,25)(H2,22,24,26).
What are the key properties of 4-(4-ethoxyphenyl)-N-(2-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
4-(4-ethoxyphenyl)-N-(2-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide has a molecular weight of 369.40 g/mol, XLogP of 3.49, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxyphenyl)-N-(2-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 2945156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).