2-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]-4,6-dimethylpyrimidine

C26H31N3 — CID 118857218

IUPAC2-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]-4,6-dimethylpyrimidine
SMILESCc1cc(C)nc(-c2ccc(-c3ccc4c(c3)C(C)(C)C(C)(C)C4(C)C)nc2)n1
InChIInChI=1S/C26H31N3/c1-16-13-17(2)29-23(28-16)19-10-12-22(27-15-19)18-9-11-20-21(14-18)25(5,6)26(7,8)24(20,3)4/h9-15H,1-8H3
InChIKeyRMXGDEZHIZVYIO-UHFFFAOYSA-N
MW385.56 g/mol
LogP6.42
Rot. Bonds2

About 2-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]-4,6-dimethylpyrimidine

2-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]-4,6-dimethylpyrimidine (PubChem CID 118857218) has the molecular formula C26H31N3 and a molecular weight of 385.56 g/mol. Its IUPAC name is 2-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]-4,6-dimethylpyrimidine.

Molecular Properties

Compound Name2-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]-4,6-dimethylpyrimidine
PubChem CID118857218
Molecular FormulaC26H31N3
Molecular Weight385.56 g/mol
Exact Mass385.25
IUPAC Name2-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]-4,6-dimethylpyrimidine
SMILESCc1cc(C)nc(-c2ccc(-c3ccc4c(c3)C(C)(C)C(C)(C)C4(C)C)nc2)n1
InChIInChI=1S/C26H31N3/c1-16-13-17(2)29-23(28-16)19-10-12-22(27-15-19)18-9-11-20-21(14-18)25(5,6)26(7,8)24(20,3)4/h9-15H,1-8H3
InChIKeyRMXGDEZHIZVYIO-UHFFFAOYSA-N
XLogP6.42
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.56
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]-4,6-dimethylpyrimidine?
The IUPAC name of 2-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]-4,6-dimethylpyrimidine (CID 118857218) is 2-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]-4,6-dimethylpyrimidine.
What is the SMILES notation for 2-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]-4,6-dimethylpyrimidine?
The canonical SMILES for 2-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]-4,6-dimethylpyrimidine is Cc1cc(C)nc(-c2ccc(-c3ccc4c(c3)C(C)(C)C(C)(C)C4(C)C)nc2)n1.
What is the InChIKey of 2-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]-4,6-dimethylpyrimidine?
The InChIKey is RMXGDEZHIZVYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3/c1-16-13-17(2)29-23(28-16)19-10-12-22(27-15-19)18-9-11-20-21(14-18)25(5,6)26(7,8)24(20,3)4/h9-15H,1-8H3.
What are the key properties of 2-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]-4,6-dimethylpyrimidine?
2-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]-4,6-dimethylpyrimidine has a molecular weight of 385.56 g/mol, XLogP of 6.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]-4,6-dimethylpyrimidine is sourced from PubChem (CID 118857218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).