methyl 5-[tert-butyl(dimethyl)silyl]oxy-1,3-bis(4-methoxyphenyl)-2-phenyl-2,4-dihydropyrimidine-6-carboxylate

C32H40N2O5Si — CID 102223693

IUPACmethyl 5-[tert-butyl(dimethyl)silyl]oxy-1,3-bis(4-methoxyphenyl)-2-phenyl-2,4-dihydropyrimidine-6-carboxylate
SMILESCOC(=O)C1=C(O[Si](C)(C)C(C)(C)C)CN(c2ccc(OC)cc2)C(c2ccccc2)N1c1ccc(OC)cc1
InChIInChI=1S/C32H40N2O5Si/c1-32(2,3)40(7,8)39-28-22-33(24-14-18-26(36-4)19-15-24)30(23-12-10-9-11-13-23)34(29(28)31(35)38-6)25-16-20-27(37-5)21-17-25/h9-21,30H,22H2,1-8H3
InChIKeyIZHWMWVLTFQMHJ-UHFFFAOYSA-N
MW560.77 g/mol
LogP7.14
Rot. Bonds8

About methyl 5-[tert-butyl(dimethyl)silyl]oxy-1,3-bis(4-methoxyphenyl)-2-phenyl-2,4-dihydropyrimidine-6-carboxylate

methyl 5-[tert-butyl(dimethyl)silyl]oxy-1,3-bis(4-methoxyphenyl)-2-phenyl-2,4-dihydropyrimidine-6-carboxylate (PubChem CID 102223693) has the molecular formula C32H40N2O5Si and a molecular weight of 560.77 g/mol. Its IUPAC name is methyl 5-[tert-butyl(dimethyl)silyl]oxy-1,3-bis(4-methoxyphenyl)-2-phenyl-2,4-dihydropyrimidine-6-carboxylate.

Molecular Properties

Compound Namemethyl 5-[tert-butyl(dimethyl)silyl]oxy-1,3-bis(4-methoxyphenyl)-2-phenyl-2,4-dihydropyrimidine-6-carboxylate
PubChem CID102223693
Molecular FormulaC32H40N2O5Si
Molecular Weight560.77 g/mol
Exact Mass560.27
IUPAC Namemethyl 5-[tert-butyl(dimethyl)silyl]oxy-1,3-bis(4-methoxyphenyl)-2-phenyl-2,4-dihydropyrimidine-6-carboxylate
SMILESCOC(=O)C1=C(O[Si](C)(C)C(C)(C)C)CN(c2ccc(OC)cc2)C(c2ccccc2)N1c1ccc(OC)cc1
InChIInChI=1S/C32H40N2O5Si/c1-32(2,3)40(7,8)39-28-22-33(24-14-18-26(36-4)19-15-24)30(23-12-10-9-11-13-23)34(29(28)31(35)38-6)25-16-20-27(37-5)21-17-25/h9-21,30H,22H2,1-8H3
InChIKeyIZHWMWVLTFQMHJ-UHFFFAOYSA-N
XLogP7.14
TPSA60.47 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.77
LogP ≤ 57.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze methyl 5-[tert-butyl(dimethyl)silyl]oxy-1,3-bis(4-methoxyphenyl)-2-phenyl-2,4-dihydropyrimidine-6-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

6-methoxycarbonyl-1,3-diphenyl-2-[4-(trifluoromethyl)phenyl]-2,4-dihydropyrimidine-5-carboxylic acid
CID 141267092
tert-butyl 6-[tert-butyl(dimethyl)silyl]oxy-1,3-bis(4-methoxyphenyl)-4,7-dihydro-2H-1,3-diazepine-5-carboxylate
CID 132542460
dimethyl 1,3-bis(4-bromophenyl)-2-[4-(trifluoromethyl)phenyl]-2,4-dihydropyrimidine-5,6-dicarboxylate
CID 122374612
dimethyl (2R,5R)-1-(4-methoxyphenyl)-2,5-diphenyl-2,5-dihydropyrrole-3,4-dicarboxylate
CID 9499901
methyl (1R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-8-phenyl-8-azabicyclo[3.2.1]octa-2,6-diene-2-carboxylate
CID 102381973
tert-butyl (2R)-4-hydroxy-1-(4-methoxyphenyl)-5-oxo-2-phenyl-2H-pyrrole-3-carboxylate
CID 54750460
[5-[tert-butyl(dimethyl)silyl]oxy-3-(4-methoxyphenyl)-2-phenyl-3,6-dihydrooxazin-4-yl]-piperidin-1-ylmethanone
CID 132508017
methyl 4-[2-(2,6-dichloro-4-methylphenyl)-4-(4-methoxyphenyl)-3-phenyl-3H-1,2,4-triazol-5-yl]benzoate
CID 101385094
methyl 2-[tert-butyl(dimethyl)silyl]oxy-4-methoxybenzoate
CID 91737509
tert-butyl-[2-[1-(4-methoxyphenyl)aziridin-2-yl]ethoxy]-dimethylsilane
CID 10494970
(4S)-1-(4-methoxyphenyl)-4-phenylazetidin-2-one
CID 10354907
methyl 3-(4-methoxyphenyl)-4-methyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate
CID 18171059

Frequently Asked Questions

What is the IUPAC name of methyl 5-[tert-butyl(dimethyl)silyl]oxy-1,3-bis(4-methoxyphenyl)-2-phenyl-2,4-dihydropyrimidine-6-carboxylate?
The IUPAC name of methyl 5-[tert-butyl(dimethyl)silyl]oxy-1,3-bis(4-methoxyphenyl)-2-phenyl-2,4-dihydropyrimidine-6-carboxylate (CID 102223693) is methyl 5-[tert-butyl(dimethyl)silyl]oxy-1,3-bis(4-methoxyphenyl)-2-phenyl-2,4-dihydropyrimidine-6-carboxylate.
What is the SMILES notation for methyl 5-[tert-butyl(dimethyl)silyl]oxy-1,3-bis(4-methoxyphenyl)-2-phenyl-2,4-dihydropyrimidine-6-carboxylate?
The canonical SMILES for methyl 5-[tert-butyl(dimethyl)silyl]oxy-1,3-bis(4-methoxyphenyl)-2-phenyl-2,4-dihydropyrimidine-6-carboxylate is COC(=O)C1=C(O[Si](C)(C)C(C)(C)C)CN(c2ccc(OC)cc2)C(c2ccccc2)N1c1ccc(OC)cc1.
What is the InChIKey of methyl 5-[tert-butyl(dimethyl)silyl]oxy-1,3-bis(4-methoxyphenyl)-2-phenyl-2,4-dihydropyrimidine-6-carboxylate?
The InChIKey is IZHWMWVLTFQMHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H40N2O5Si/c1-32(2,3)40(7,8)39-28-22-33(24-14-18-26(36-4)19-15-24)30(23-12-10-9-11-13-23)34(29(28)31(35)38-6)25-16-20-27(37-5)21-17-25/h9-21,30H,22H2,1-8H3.
What are the key properties of methyl 5-[tert-butyl(dimethyl)silyl]oxy-1,3-bis(4-methoxyphenyl)-2-phenyl-2,4-dihydropyrimidine-6-carboxylate?
methyl 5-[tert-butyl(dimethyl)silyl]oxy-1,3-bis(4-methoxyphenyl)-2-phenyl-2,4-dihydropyrimidine-6-carboxylate has a molecular weight of 560.77 g/mol, XLogP of 7.14, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[tert-butyl(dimethyl)silyl]oxy-1,3-bis(4-methoxyphenyl)-2-phenyl-2,4-dihydropyrimidine-6-carboxylate is sourced from PubChem (CID 102223693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).