ethyl 4-[4-(dimethylamino)phenyl]-2-oxo-6-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate

C21H23N3O3 — CID 3435090

IUPACethyl 4-[4-(dimethylamino)phenyl]-2-oxo-6-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)C1=C(c2ccccc2)NC(=O)NC1c1ccc(N(C)C)cc1
InChIInChI=1S/C21H23N3O3/c1-4-27-20(25)17-18(14-8-6-5-7-9-14)22-21(26)23-19(17)15-10-12-16(13-11-15)24(2)3/h5-13,19H,4H2,1-3H3,(H2,22,23,26)
InChIKeyPXSQCXNJQKFYLA-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.08
Rot. Bonds5

About ethyl 4-[4-(dimethylamino)phenyl]-2-oxo-6-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate

ethyl 4-[4-(dimethylamino)phenyl]-2-oxo-6-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate (PubChem CID 3435090) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is ethyl 4-[4-(dimethylamino)phenyl]-2-oxo-6-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-[4-(dimethylamino)phenyl]-2-oxo-6-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
PubChem CID3435090
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Nameethyl 4-[4-(dimethylamino)phenyl]-2-oxo-6-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)C1=C(c2ccccc2)NC(=O)NC1c1ccc(N(C)C)cc1
InChIInChI=1S/C21H23N3O3/c1-4-27-20(25)17-18(14-8-6-5-7-9-14)22-21(26)23-19(17)15-10-12-16(13-11-15)24(2)3/h5-13,19H,4H2,1-3H3,(H2,22,23,26)
InChIKeyPXSQCXNJQKFYLA-UHFFFAOYSA-N
XLogP3.08
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[4-(dimethylamino)phenyl]-2-oxo-6-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-[4-(dimethylamino)phenyl]-2-oxo-6-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate (CID 3435090) is ethyl 4-[4-(dimethylamino)phenyl]-2-oxo-6-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-[4-(dimethylamino)phenyl]-2-oxo-6-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-[4-(dimethylamino)phenyl]-2-oxo-6-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate is CCOC(=O)C1=C(c2ccccc2)NC(=O)NC1c1ccc(N(C)C)cc1.
What is the InChIKey of ethyl 4-[4-(dimethylamino)phenyl]-2-oxo-6-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The InChIKey is PXSQCXNJQKFYLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-4-27-20(25)17-18(14-8-6-5-7-9-14)22-21(26)23-19(17)15-10-12-16(13-11-15)24(2)3/h5-13,19H,4H2,1-3H3,(H2,22,23,26).
What are the key properties of ethyl 4-[4-(dimethylamino)phenyl]-2-oxo-6-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate?
ethyl 4-[4-(dimethylamino)phenyl]-2-oxo-6-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate has a molecular weight of 365.43 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[4-(dimethylamino)phenyl]-2-oxo-6-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 3435090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).