4-fluoro-6-methyl-2-(9,9'-spirobi[fluorene]-4'-yl)pyrimidine

C30H19FN2 — CID 118329174

IUPAC4-fluoro-6-methyl-2-(9,9'-spirobi[fluorene]-4'-yl)pyrimidine
SMILESCc1cc(F)nc(-c2cccc3c2-c2ccccc2C32c3ccccc3-c3ccccc32)n1
InChIInChI=1S/C30H19FN2/c1-18-17-27(31)33-29(32-18)22-12-8-16-26-28(22)21-11-4-7-15-25(21)30(26)23-13-5-2-9-19(23)20-10-3-6-14-24(20)30/h2-17H,1H3
InChIKeyIWUJIOYSAVVHMY-UHFFFAOYSA-N
MW426.49 g/mol
LogP6.93
Rot. Bonds1

About 4-fluoro-6-methyl-2-(9,9'-spirobi[fluorene]-4'-yl)pyrimidine

4-fluoro-6-methyl-2-(9,9'-spirobi[fluorene]-4'-yl)pyrimidine (PubChem CID 118329174) has the molecular formula C30H19FN2 and a molecular weight of 426.49 g/mol. Its IUPAC name is 4-fluoro-6-methyl-2-(9,9'-spirobi[fluorene]-4'-yl)pyrimidine.

Molecular Properties

Compound Name4-fluoro-6-methyl-2-(9,9'-spirobi[fluorene]-4'-yl)pyrimidine
PubChem CID118329174
Molecular FormulaC30H19FN2
Molecular Weight426.49 g/mol
Exact Mass426.15
IUPAC Name4-fluoro-6-methyl-2-(9,9'-spirobi[fluorene]-4'-yl)pyrimidine
SMILESCc1cc(F)nc(-c2cccc3c2-c2ccccc2C32c3ccccc3-c3ccccc32)n1
InChIInChI=1S/C30H19FN2/c1-18-17-27(31)33-29(32-18)22-12-8-16-26-28(22)21-11-4-7-15-25(21)30(26)23-13-5-2-9-19(23)20-10-3-6-14-24(20)30/h2-17H,1H3
InChIKeyIWUJIOYSAVVHMY-UHFFFAOYSA-N
XLogP6.93
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.49
LogP ≤ 56.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-6-methyl-2-(9,9'-spirobi[fluorene]-4'-yl)pyrimidine?
The IUPAC name of 4-fluoro-6-methyl-2-(9,9'-spirobi[fluorene]-4'-yl)pyrimidine (CID 118329174) is 4-fluoro-6-methyl-2-(9,9'-spirobi[fluorene]-4'-yl)pyrimidine.
What is the SMILES notation for 4-fluoro-6-methyl-2-(9,9'-spirobi[fluorene]-4'-yl)pyrimidine?
The canonical SMILES for 4-fluoro-6-methyl-2-(9,9'-spirobi[fluorene]-4'-yl)pyrimidine is Cc1cc(F)nc(-c2cccc3c2-c2ccccc2C32c3ccccc3-c3ccccc32)n1.
What is the InChIKey of 4-fluoro-6-methyl-2-(9,9'-spirobi[fluorene]-4'-yl)pyrimidine?
The InChIKey is IWUJIOYSAVVHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H19FN2/c1-18-17-27(31)33-29(32-18)22-12-8-16-26-28(22)21-11-4-7-15-25(21)30(26)23-13-5-2-9-19(23)20-10-3-6-14-24(20)30/h2-17H,1H3.
What are the key properties of 4-fluoro-6-methyl-2-(9,9'-spirobi[fluorene]-4'-yl)pyrimidine?
4-fluoro-6-methyl-2-(9,9'-spirobi[fluorene]-4'-yl)pyrimidine has a molecular weight of 426.49 g/mol, XLogP of 6.93, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-methyl-2-(9,9'-spirobi[fluorene]-4'-yl)pyrimidine is sourced from PubChem (CID 118329174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).