ethyl 4-benzamido-6-methyl-2-phenylpyrimidine-5-carboxylate

C21H19N3O3 — CID 1035315

IUPACethyl 4-benzamido-6-methyl-2-phenylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(C)nc(-c2ccccc2)nc1NC(=O)c1ccccc1
InChIInChI=1S/C21H19N3O3/c1-3-27-21(26)17-14(2)22-18(15-10-6-4-7-11-15)23-19(17)24-20(25)16-12-8-5-9-13-16/h4-13H,3H2,1-2H3,(H,22,23,24,25)
InChIKeyQXAAJACEATVOIQ-UHFFFAOYSA-N
MW361.40 g/mol
LogP3.88
Rot. Bonds5

About ethyl 4-benzamido-6-methyl-2-phenylpyrimidine-5-carboxylate

ethyl 4-benzamido-6-methyl-2-phenylpyrimidine-5-carboxylate (PubChem CID 1035315) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is ethyl 4-benzamido-6-methyl-2-phenylpyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-benzamido-6-methyl-2-phenylpyrimidine-5-carboxylate
PubChem CID1035315
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC Nameethyl 4-benzamido-6-methyl-2-phenylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(C)nc(-c2ccccc2)nc1NC(=O)c1ccccc1
InChIInChI=1S/C21H19N3O3/c1-3-27-21(26)17-14(2)22-18(15-10-6-4-7-11-15)23-19(17)24-20(25)16-12-8-5-9-13-16/h4-13H,3H2,1-2H3,(H,22,23,24,25)
InChIKeyQXAAJACEATVOIQ-UHFFFAOYSA-N
XLogP3.88
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(4-methoxyphenyl)-4-methyl-6-phenylpyrimidine-5-carboxylate
CID 102584507
ethyl 5-benzamido-2-methyl-6-oxo-4-phenyl-1H-pyridine-3-carboxylate
CID 156598657
ethyl 3-[(4-bromobenzoyl)amino]-5-phenyl-1H-pyrazole-4-carboxylate
CID 66557736
ethyl 4,6-diphenyl-1,3,5-triazine-2-carboxylate
CID 555559
ethyl 4-bromo-6-(4-methylanilino)-2-phenylpyrimidine-5-carboxylate
CID 101042049
diethyl 3-benzamido-6-methylbenzene-1,2-dicarboxylate
CID 86070957
ethyl 2-benzamido-4,5-diphenylfuran-3-carboxylate
CID 126122147
ethyl 4-benzamido-2-thiophen-2-yl-1H-imidazole-5-carboxylate
CID 17039215
ethane;ethyl 2-amino-4-anilino-6-methylpyrimidine-5-carboxylate
CID 144539371
ethyl 4-[2-(4-chloroanilino)-2-oxoethyl]sulfanyl-6-methyl-2-phenylpyrimidine-5-carboxylate
CID 35177797
ethyl 4-methyl-6-(2-nitrophenyl)-2-phenylpyrimidine-5-carboxylate
CID 15147510
ethyl 2-hydrazinyl-4-methyl-6-phenylpyrimidine-5-carboxylate
CID 71660499

Frequently Asked Questions

What is the IUPAC name of ethyl 4-benzamido-6-methyl-2-phenylpyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-benzamido-6-methyl-2-phenylpyrimidine-5-carboxylate (CID 1035315) is ethyl 4-benzamido-6-methyl-2-phenylpyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-benzamido-6-methyl-2-phenylpyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-benzamido-6-methyl-2-phenylpyrimidine-5-carboxylate is CCOC(=O)c1c(C)nc(-c2ccccc2)nc1NC(=O)c1ccccc1.
What is the InChIKey of ethyl 4-benzamido-6-methyl-2-phenylpyrimidine-5-carboxylate?
The InChIKey is QXAAJACEATVOIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3/c1-3-27-21(26)17-14(2)22-18(15-10-6-4-7-11-15)23-19(17)24-20(25)16-12-8-5-9-13-16/h4-13H,3H2,1-2H3,(H,22,23,24,25).
What are the key properties of ethyl 4-benzamido-6-methyl-2-phenylpyrimidine-5-carboxylate?
ethyl 4-benzamido-6-methyl-2-phenylpyrimidine-5-carboxylate has a molecular weight of 361.40 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-benzamido-6-methyl-2-phenylpyrimidine-5-carboxylate is sourced from PubChem (CID 1035315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).