ethyl 4-(4-methoxyanilino)-2-phenylpyrimidine-5-carboxylate

C20H19N3O3 — CID 756815

IUPACethyl 4-(4-methoxyanilino)-2-phenylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(-c2ccccc2)nc1Nc1ccc(OC)cc1
InChIInChI=1S/C20H19N3O3/c1-3-26-20(24)17-13-21-18(14-7-5-4-6-8-14)23-19(17)22-15-9-11-16(25-2)12-10-15/h4-13H,3H2,1-2H3,(H,21,22,23)
InChIKeyBQSQQRJRLADTAC-UHFFFAOYSA-N
MW349.39 g/mol
LogP4.07
Rot. Bonds6

About ethyl 4-(4-methoxyanilino)-2-phenylpyrimidine-5-carboxylate

ethyl 4-(4-methoxyanilino)-2-phenylpyrimidine-5-carboxylate (PubChem CID 756815) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is ethyl 4-(4-methoxyanilino)-2-phenylpyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-methoxyanilino)-2-phenylpyrimidine-5-carboxylate
PubChem CID756815
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Nameethyl 4-(4-methoxyanilino)-2-phenylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(-c2ccccc2)nc1Nc1ccc(OC)cc1
InChIInChI=1S/C20H19N3O3/c1-3-26-20(24)17-13-21-18(14-7-5-4-6-8-14)23-19(17)22-15-9-11-16(25-2)12-10-15/h4-13H,3H2,1-2H3,(H,21,22,23)
InChIKeyBQSQQRJRLADTAC-UHFFFAOYSA-N
XLogP4.07
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-(2-aminoanilino)-2-phenylpyrimidine-5-carboxylate
CID 20554387
ethyl 4-[(4-cyano-1-methylpyrazol-5-yl)amino]-2-(4-methoxyphenyl)pyrimidine-5-carboxylate
CID 108775340
ethyl 4-[(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)amino]-2-phenylpyrimidine-5-carboxylate
CID 108776559
ethyl 2-(4-methoxyanilino)benzoate
CID 13424427
ethyl 2-(4-methoxyphenyl)-4-[[6-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]amino]pyrimidine-5-carboxylate
CID 108772302
ethyl 4-[(4-methyl-2-phenylpyrimidine-5-carbonyl)amino]benzoate
CID 53080370
ethyl 4-[[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]amino]-2-phenylpyrimidine-5-carboxylate
CID 108772518
ethyl 2-phenyl-4-(trifluoromethyl)pyrimidine-5-carboxylate
CID 3522145
ethyl 1-anilinoisoquinoline-4-carboxylate
CID 46358338
ethyl 4-(benzylamino)-2-pyridin-3-ylpyrimidine-5-carboxylate
CID 59517703
ethyl 4-bromo-6-(4-methylanilino)-2-phenylpyrimidine-5-carboxylate
CID 101042049
ethyl 4-[(5-methyl-2-quinolin-2-ylpyrazol-3-yl)amino]-2-phenylpyrimidine-5-carboxylate
CID 108778745

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-methoxyanilino)-2-phenylpyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-(4-methoxyanilino)-2-phenylpyrimidine-5-carboxylate (CID 756815) is ethyl 4-(4-methoxyanilino)-2-phenylpyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-(4-methoxyanilino)-2-phenylpyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-(4-methoxyanilino)-2-phenylpyrimidine-5-carboxylate is CCOC(=O)c1cnc(-c2ccccc2)nc1Nc1ccc(OC)cc1.
What is the InChIKey of ethyl 4-(4-methoxyanilino)-2-phenylpyrimidine-5-carboxylate?
The InChIKey is BQSQQRJRLADTAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-3-26-20(24)17-13-21-18(14-7-5-4-6-8-14)23-19(17)22-15-9-11-16(25-2)12-10-15/h4-13H,3H2,1-2H3,(H,21,22,23).
What are the key properties of ethyl 4-(4-methoxyanilino)-2-phenylpyrimidine-5-carboxylate?
ethyl 4-(4-methoxyanilino)-2-phenylpyrimidine-5-carboxylate has a molecular weight of 349.39 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-methoxyanilino)-2-phenylpyrimidine-5-carboxylate is sourced from PubChem (CID 756815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).