2-tert-butyl-5-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]pyrimidine

C28H35N3 — CID 140826470

IUPAC2-tert-butyl-5-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]pyrimidine
SMILESCC(C)(C)c1ncc(-c2ccc(-c3ccc4c(c3)C(C)(C)C(C)(C)C4(C)C)nc2)cn1
InChIInChI=1S/C28H35N3/c1-25(2,3)24-30-16-20(17-31-24)19-11-13-23(29-15-19)18-10-12-21-22(14-18)27(6,7)28(8,9)26(21,4)5/h10-17H,1-9H3
InChIKeyFZWGUKBWUIYBBY-UHFFFAOYSA-N
MW413.61 g/mol
LogP7.10
Rot. Bonds2

About 2-tert-butyl-5-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]pyrimidine

2-tert-butyl-5-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]pyrimidine (PubChem CID 140826470) has the molecular formula C28H35N3 and a molecular weight of 413.61 g/mol. Its IUPAC name is 2-tert-butyl-5-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]pyrimidine.

Molecular Properties

Compound Name2-tert-butyl-5-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]pyrimidine
PubChem CID140826470
Molecular FormulaC28H35N3
Molecular Weight413.61 g/mol
Exact Mass413.28
IUPAC Name2-tert-butyl-5-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]pyrimidine
SMILESCC(C)(C)c1ncc(-c2ccc(-c3ccc4c(c3)C(C)(C)C(C)(C)C4(C)C)nc2)cn1
InChIInChI=1S/C28H35N3/c1-25(2,3)24-30-16-20(17-31-24)19-11-13-23(29-15-19)18-10-12-21-22(14-18)27(6,7)28(8,9)26(21,4)5/h10-17H,1-9H3
InChIKeyFZWGUKBWUIYBBY-UHFFFAOYSA-N
XLogP7.10
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.61
LogP ≤ 57.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-tert-butyl-5-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]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

2,4-ditert-butyl-6-[4-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]phenyl]-1,3,5-triazine
CID 140826343
2,4-bis(4-tert-butylphenyl)-6-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]pyrimidine
CID 140826425
2-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]-4,6-dimethylpyrimidine
CID 118857218
2-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]pyrimidine-4,6-dicarbonitrile
CID 118857250
5-[2-(3,5-dimethylphenyl)-3-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]phenyl]-2-(1,1,2,2,3,3-hexamethylinden-5-yl)pyridine
CID 153422803
CID 145132296
CID 145132296
2-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]-4-(2-methylphenyl)-6-phenyl-1,3,5-triazine
CID 118857536
2,4-bis(1-adamantyl)-6-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]-1,3,5-triazine
CID 130376256
3-[5-[2-[3-[2-[4-[6-[4-[2-[3,5-bis[2-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]phenyl]phenyl]phenyl]phenyl]pyrimidin-4-yl]phenyl]phenyl]-5-[2-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]phenyl]phenyl]phenyl]-2-pyridinyl]-5,5,6,6,7,7-hexamethylcyclopenta[c]pyridine
CID 171044013
5-tert-butyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyridine
CID 118300467
2-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]-4-methyl-6-phenylsulfanyl-1,3,5-triazine
CID 118857458
2-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]-6-isocyanopyrimidine-4-carbonitrile
CID 140826510

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]pyrimidine?
The IUPAC name of 2-tert-butyl-5-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]pyrimidine (CID 140826470) is 2-tert-butyl-5-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]pyrimidine.
What is the SMILES notation for 2-tert-butyl-5-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]pyrimidine?
The canonical SMILES for 2-tert-butyl-5-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]pyrimidine is CC(C)(C)c1ncc(-c2ccc(-c3ccc4c(c3)C(C)(C)C(C)(C)C4(C)C)nc2)cn1.
What is the InChIKey of 2-tert-butyl-5-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]pyrimidine?
The InChIKey is FZWGUKBWUIYBBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N3/c1-25(2,3)24-30-16-20(17-31-24)19-11-13-23(29-15-19)18-10-12-21-22(14-18)27(6,7)28(8,9)26(21,4)5/h10-17H,1-9H3.
What are the key properties of 2-tert-butyl-5-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]pyrimidine?
2-tert-butyl-5-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]pyrimidine has a molecular weight of 413.61 g/mol, XLogP of 7.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]pyrimidine is sourced from PubChem (CID 140826470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).