2,4-ditert-butyl-6-(3-pyrrolidin-1-ylsulfonylpyrrolidin-1-yl)pyrimidine

C20H34N4O2S — CID 133383773

IUPAC2,4-ditert-butyl-6-(3-pyrrolidin-1-ylsulfonylpyrrolidin-1-yl)pyrimidine
SMILESCC(C)(C)c1cc(N2CCC(S(=O)(=O)N3CCCC3)C2)nc(C(C)(C)C)n1
InChIInChI=1S/C20H34N4O2S/c1-19(2,3)16-13-17(22-18(21-16)20(4,5)6)23-12-9-15(14-23)27(25,26)24-10-7-8-11-24/h13,15H,7-12,14H2,1-6H3
InChIKeyABLJBUPZUJFBKZ-UHFFFAOYSA-N
MW394.59 g/mol
LogP3.08
Rot. Bonds3

About 2,4-ditert-butyl-6-(3-pyrrolidin-1-ylsulfonylpyrrolidin-1-yl)pyrimidine

2,4-ditert-butyl-6-(3-pyrrolidin-1-ylsulfonylpyrrolidin-1-yl)pyrimidine (PubChem CID 133383773) has the molecular formula C20H34N4O2S and a molecular weight of 394.59 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-(3-pyrrolidin-1-ylsulfonylpyrrolidin-1-yl)pyrimidine.

Molecular Properties

Compound Name2,4-ditert-butyl-6-(3-pyrrolidin-1-ylsulfonylpyrrolidin-1-yl)pyrimidine
PubChem CID133383773
Molecular FormulaC20H34N4O2S
Molecular Weight394.59 g/mol
Exact Mass394.24
IUPAC Name2,4-ditert-butyl-6-(3-pyrrolidin-1-ylsulfonylpyrrolidin-1-yl)pyrimidine
SMILESCC(C)(C)c1cc(N2CCC(S(=O)(=O)N3CCCC3)C2)nc(C(C)(C)C)n1
InChIInChI=1S/C20H34N4O2S/c1-19(2,3)16-13-17(22-18(21-16)20(4,5)6)23-12-9-15(14-23)27(25,26)24-10-7-8-11-24/h13,15H,7-12,14H2,1-6H3
InChIKeyABLJBUPZUJFBKZ-UHFFFAOYSA-N
XLogP3.08
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.59
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2,4-ditert-butyl-6-(3-pyrrolidin-1-ylsulfonylpyrrolidin-1-yl)pyrimidine with MolForge

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

Launch Full Analysis

Related Compounds

cyclopropyl-[4-(2,6-ditert-butylpyrimidin-4-yl)-1,4-diazepan-1-yl]methanone
CID 133499066
1-[1-(2,6-ditert-butylpyrimidin-4-yl)piperidin-3-yl]ethanol
CID 133397917
2,4-dimethyl-6-(4-piperidin-1-ylsulfonylpiperidin-1-yl)pyrimidine
CID 138020046
2,4-ditert-butyl-6-(4-imidazol-1-ylpiperidin-1-yl)pyrimidine
CID 133368138
[1-(2,6-ditert-butylpyrimidin-4-yl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanol
CID 133384520
1-(6-bromo-2-tert-butylpyrimidin-4-yl)pyrrolidine-3-carboxamide
CID 114082384
2-[4-(2,6-ditert-butylpyrimidin-4-yl)piperazin-1-yl]-N-methylacetamide
CID 133367985
4-methoxy-2-[(3R)-3-pyrrolidin-1-ylsulfonylpyrrolidin-1-yl]pyrimidine
CID 124575255
2-tert-butyl-4-chloro-6-(4-methylsulfonylpiperazin-1-yl)pyrimidine
CID 80947034
2,4-ditert-butyl-6-[4-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]propyl]piperazin-1-yl]pyrimidine
CID 11583509
1-(2-tert-butyl-6-chloropyrimidin-4-yl)-4-methylpiperidin-3-ol
CID 102963119
2-tert-butyl-4-chloro-6-(3-propan-2-ylpyrrolidin-1-yl)pyrimidine
CID 113418376

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-6-(3-pyrrolidin-1-ylsulfonylpyrrolidin-1-yl)pyrimidine?
The IUPAC name of 2,4-ditert-butyl-6-(3-pyrrolidin-1-ylsulfonylpyrrolidin-1-yl)pyrimidine (CID 133383773) is 2,4-ditert-butyl-6-(3-pyrrolidin-1-ylsulfonylpyrrolidin-1-yl)pyrimidine.
What is the SMILES notation for 2,4-ditert-butyl-6-(3-pyrrolidin-1-ylsulfonylpyrrolidin-1-yl)pyrimidine?
The canonical SMILES for 2,4-ditert-butyl-6-(3-pyrrolidin-1-ylsulfonylpyrrolidin-1-yl)pyrimidine is CC(C)(C)c1cc(N2CCC(S(=O)(=O)N3CCCC3)C2)nc(C(C)(C)C)n1.
What is the InChIKey of 2,4-ditert-butyl-6-(3-pyrrolidin-1-ylsulfonylpyrrolidin-1-yl)pyrimidine?
The InChIKey is ABLJBUPZUJFBKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O2S/c1-19(2,3)16-13-17(22-18(21-16)20(4,5)6)23-12-9-15(14-23)27(25,26)24-10-7-8-11-24/h13,15H,7-12,14H2,1-6H3.
What are the key properties of 2,4-ditert-butyl-6-(3-pyrrolidin-1-ylsulfonylpyrrolidin-1-yl)pyrimidine?
2,4-ditert-butyl-6-(3-pyrrolidin-1-ylsulfonylpyrrolidin-1-yl)pyrimidine has a molecular weight of 394.59 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-ditert-butyl-6-(3-pyrrolidin-1-ylsulfonylpyrrolidin-1-yl)pyrimidine is sourced from PubChem (CID 133383773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).