(2,2,6,6-tetramethylpiperidin-4-yl) 5-[4-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylphenyl]pyrimidine-2-carboxylate

C30H42N4O4 — CID 118874514

IUPAC(2,2,6,6-tetramethylpiperidin-4-yl) 5-[4-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylphenyl]pyrimidine-2-carboxylate
SMILESCC1(C)CC(OC(=O)c2ccc(-c3cnc(C(=O)OC4CC(C)(C)NC(C)(C)C4)nc3)cc2)CC(C)(C)N1
InChIInChI=1S/C30H42N4O4/c1-27(2)13-22(14-28(3,4)33-27)37-25(35)20-11-9-19(10-12-20)21-17-31-24(32-18-21)26(36)38-23-15-29(5,6)34-30(7,8)16-23/h9-12,17-18,22-23,33-34H,13-16H2,1-8H3
InChIKeyVZAAFMBDWNRMCC-UHFFFAOYSA-N
MW522.69 g/mol
LogP5.08
Rot. Bonds5

About (2,2,6,6-tetramethylpiperidin-4-yl) 5-[4-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylphenyl]pyrimidine-2-carboxylate

(2,2,6,6-tetramethylpiperidin-4-yl) 5-[4-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylphenyl]pyrimidine-2-carboxylate (PubChem CID 118874514) has the molecular formula C30H42N4O4 and a molecular weight of 522.69 g/mol. Its IUPAC name is (2,2,6,6-tetramethylpiperidin-4-yl) 5-[4-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylphenyl]pyrimidine-2-carboxylate.

Molecular Properties

Compound Name(2,2,6,6-tetramethylpiperidin-4-yl) 5-[4-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylphenyl]pyrimidine-2-carboxylate
PubChem CID118874514
Molecular FormulaC30H42N4O4
Molecular Weight522.69 g/mol
Exact Mass522.32
IUPAC Name(2,2,6,6-tetramethylpiperidin-4-yl) 5-[4-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylphenyl]pyrimidine-2-carboxylate
SMILESCC1(C)CC(OC(=O)c2ccc(-c3cnc(C(=O)OC4CC(C)(C)NC(C)(C)C4)nc3)cc2)CC(C)(C)N1
InChIInChI=1S/C30H42N4O4/c1-27(2)13-22(14-28(3,4)33-27)37-25(35)20-11-9-19(10-12-20)21-17-31-24(32-18-21)26(36)38-23-15-29(5,6)34-30(7,8)16-23/h9-12,17-18,22-23,33-34H,13-16H2,1-8H3
InChIKeyVZAAFMBDWNRMCC-UHFFFAOYSA-N
XLogP5.08
TPSA102.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.69
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (2,2,6,6-tetramethylpiperidin-4-yl) 5-[4-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylphenyl]pyrimidine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2,2,6,6-tetramethylpiperidin-4-yl) 5-[4-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylphenyl]pyrimidine-2-carboxylate?
The IUPAC name of (2,2,6,6-tetramethylpiperidin-4-yl) 5-[4-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylphenyl]pyrimidine-2-carboxylate (CID 118874514) is (2,2,6,6-tetramethylpiperidin-4-yl) 5-[4-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylphenyl]pyrimidine-2-carboxylate.
What is the SMILES notation for (2,2,6,6-tetramethylpiperidin-4-yl) 5-[4-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylphenyl]pyrimidine-2-carboxylate?
The canonical SMILES for (2,2,6,6-tetramethylpiperidin-4-yl) 5-[4-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylphenyl]pyrimidine-2-carboxylate is CC1(C)CC(OC(=O)c2ccc(-c3cnc(C(=O)OC4CC(C)(C)NC(C)(C)C4)nc3)cc2)CC(C)(C)N1.
What is the InChIKey of (2,2,6,6-tetramethylpiperidin-4-yl) 5-[4-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylphenyl]pyrimidine-2-carboxylate?
The InChIKey is VZAAFMBDWNRMCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H42N4O4/c1-27(2)13-22(14-28(3,4)33-27)37-25(35)20-11-9-19(10-12-20)21-17-31-24(32-18-21)26(36)38-23-15-29(5,6)34-30(7,8)16-23/h9-12,17-18,22-23,33-34H,13-16H2,1-8H3.
What are the key properties of (2,2,6,6-tetramethylpiperidin-4-yl) 5-[4-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylphenyl]pyrimidine-2-carboxylate?
(2,2,6,6-tetramethylpiperidin-4-yl) 5-[4-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylphenyl]pyrimidine-2-carboxylate has a molecular weight of 522.69 g/mol, XLogP of 5.08, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2,6,6-tetramethylpiperidin-4-yl) 5-[4-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylphenyl]pyrimidine-2-carboxylate is sourced from PubChem (CID 118874514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).