methyl 2,6-bis(4-methoxyphenyl)-5-methylpyrimidine-4-carboxylate

C21H20N2O4 — CID 90960617

IUPACmethyl 2,6-bis(4-methoxyphenyl)-5-methylpyrimidine-4-carboxylate
SMILESCOC(=O)c1nc(-c2ccc(OC)cc2)nc(-c2ccc(OC)cc2)c1C
InChIInChI=1S/C21H20N2O4/c1-13-18(14-5-9-16(25-2)10-6-14)22-20(23-19(13)21(24)27-4)15-7-11-17(26-3)12-8-15/h5-12H,1-4H3
InChIKeyPDXOUAPMRNBQJV-UHFFFAOYSA-N
MW364.40 g/mol
LogP3.92
Rot. Bonds5

About methyl 2,6-bis(4-methoxyphenyl)-5-methylpyrimidine-4-carboxylate

methyl 2,6-bis(4-methoxyphenyl)-5-methylpyrimidine-4-carboxylate (PubChem CID 90960617) has the molecular formula C21H20N2O4 and a molecular weight of 364.40 g/mol. Its IUPAC name is methyl 2,6-bis(4-methoxyphenyl)-5-methylpyrimidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2,6-bis(4-methoxyphenyl)-5-methylpyrimidine-4-carboxylate
PubChem CID90960617
Molecular FormulaC21H20N2O4
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC Namemethyl 2,6-bis(4-methoxyphenyl)-5-methylpyrimidine-4-carboxylate
SMILESCOC(=O)c1nc(-c2ccc(OC)cc2)nc(-c2ccc(OC)cc2)c1C
InChIInChI=1S/C21H20N2O4/c1-13-18(14-5-9-16(25-2)10-6-14)22-20(23-19(13)21(24)27-4)15-7-11-17(26-3)12-8-15/h5-12H,1-4H3
InChIKeyPDXOUAPMRNBQJV-UHFFFAOYSA-N
XLogP3.92
TPSA70.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5,6-bis[(4-methoxyphenyl)methoxy]-2-(4-methylphenyl)pyrimidine-4-carboxylate
CID 59688050
methyl 2-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxylate
CID 102184443
dimethyl 2,5-bis(4-methoxycarbonylphenyl)pyrimidine-4,6-dicarboxylate
CID 122204693
ethyl 2-(4-methoxyphenyl)-4-methyl-6-phenylpyrimidine-5-carboxylate
CID 102584507
methyl 5-hydroxy-2-(4-methoxyphenyl)-3-methyl-6-propylpyridine-4-carboxylate
CID 175431840
2,4,6-tris[4-(4-methoxyphenyl)phenyl]-1,3,5-triazine
CID 20652062
methyl 6-amino-5-methyl-2-(6-nitro-3-pyridinyl)pyrimidine-4-carboxylate
CID 143893432
2-chloro-N-[3-(4-methoxyphenyl)-4-methyl-1,2-oxazol-5-yl]acetamide
CID 13362983
4-[4-methoxycarbonyl-2-(4-methoxyphenyl)-5-methylimidazol-1-yl]benzoic acid
CID 45157100
methyl 4-amino-6-(4-chlorophenyl)-5-fluoro-3-methylpyridine-2-carboxylate
CID 59432126
methyl 4-chloro-2-(4-methoxyphenyl)pyrimidine-5-carboxylate
CID 82169044
methyl 3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxylate
CID 53485391

Frequently Asked Questions

What is the IUPAC name of methyl 2,6-bis(4-methoxyphenyl)-5-methylpyrimidine-4-carboxylate?
The IUPAC name of methyl 2,6-bis(4-methoxyphenyl)-5-methylpyrimidine-4-carboxylate (CID 90960617) is methyl 2,6-bis(4-methoxyphenyl)-5-methylpyrimidine-4-carboxylate.
What is the SMILES notation for methyl 2,6-bis(4-methoxyphenyl)-5-methylpyrimidine-4-carboxylate?
The canonical SMILES for methyl 2,6-bis(4-methoxyphenyl)-5-methylpyrimidine-4-carboxylate is COC(=O)c1nc(-c2ccc(OC)cc2)nc(-c2ccc(OC)cc2)c1C.
What is the InChIKey of methyl 2,6-bis(4-methoxyphenyl)-5-methylpyrimidine-4-carboxylate?
The InChIKey is PDXOUAPMRNBQJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4/c1-13-18(14-5-9-16(25-2)10-6-14)22-20(23-19(13)21(24)27-4)15-7-11-17(26-3)12-8-15/h5-12H,1-4H3.
What are the key properties of methyl 2,6-bis(4-methoxyphenyl)-5-methylpyrimidine-4-carboxylate?
methyl 2,6-bis(4-methoxyphenyl)-5-methylpyrimidine-4-carboxylate has a molecular weight of 364.40 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,6-bis(4-methoxyphenyl)-5-methylpyrimidine-4-carboxylate is sourced from PubChem (CID 90960617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).