4-(2-fluorophenyl)-6-[3-[6-(2-fluorophenyl)-2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]propyl]-2-(6-methyl-2-pyridinyl)pyrimidine

C35H28F2N6 — CID 71277470

IUPAC4-(2-fluorophenyl)-6-[3-[6-(2-fluorophenyl)-2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]propyl]-2-(6-methyl-2-pyridinyl)pyrimidine
SMILESCc1cccc(-c2nc(CCCc3cc(-c4ccccc4F)nc(-c4cccc(C)n4)n3)cc(-c3ccccc3F)n2)n1
InChIInChI=1S/C35H28F2N6/c1-22-10-7-18-30(38-22)34-40-24(20-32(42-34)26-14-3-5-16-28(26)36)12-9-13-25-21-33(27-15-4-6-17-29(27)37)43-35(41-25)31-19-8-11-23(2)39-31/h3-8,10-11,14-21H,9,12-13H2,1-2H3
InChIKeyNKRFUMRGWVCJCS-UHFFFAOYSA-N
MW570.65 g/mol
LogP7.79
Rot. Bonds8

About 4-(2-fluorophenyl)-6-[3-[6-(2-fluorophenyl)-2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]propyl]-2-(6-methyl-2-pyridinyl)pyrimidine

4-(2-fluorophenyl)-6-[3-[6-(2-fluorophenyl)-2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]propyl]-2-(6-methyl-2-pyridinyl)pyrimidine (PubChem CID 71277470) has the molecular formula C35H28F2N6 and a molecular weight of 570.65 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-6-[3-[6-(2-fluorophenyl)-2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]propyl]-2-(6-methyl-2-pyridinyl)pyrimidine.

Molecular Properties

Compound Name4-(2-fluorophenyl)-6-[3-[6-(2-fluorophenyl)-2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]propyl]-2-(6-methyl-2-pyridinyl)pyrimidine
PubChem CID71277470
Molecular FormulaC35H28F2N6
Molecular Weight570.65 g/mol
Exact Mass570.23
IUPAC Name4-(2-fluorophenyl)-6-[3-[6-(2-fluorophenyl)-2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]propyl]-2-(6-methyl-2-pyridinyl)pyrimidine
SMILESCc1cccc(-c2nc(CCCc3cc(-c4ccccc4F)nc(-c4cccc(C)n4)n3)cc(-c3ccccc3F)n2)n1
InChIInChI=1S/C35H28F2N6/c1-22-10-7-18-30(38-22)34-40-24(20-32(42-34)26-14-3-5-16-28(26)36)12-9-13-25-21-33(27-15-4-6-17-29(27)37)43-35(41-25)31-19-8-11-23(2)39-31/h3-8,10-11,14-21H,9,12-13H2,1-2H3
InChIKeyNKRFUMRGWVCJCS-UHFFFAOYSA-N
XLogP7.79
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.65
LogP ≤ 57.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-6-[3-[6-(2-fluorophenyl)-2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]propyl]-2-(6-methyl-2-pyridinyl)pyrimidine?
The IUPAC name of 4-(2-fluorophenyl)-6-[3-[6-(2-fluorophenyl)-2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]propyl]-2-(6-methyl-2-pyridinyl)pyrimidine (CID 71277470) is 4-(2-fluorophenyl)-6-[3-[6-(2-fluorophenyl)-2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]propyl]-2-(6-methyl-2-pyridinyl)pyrimidine.
What is the SMILES notation for 4-(2-fluorophenyl)-6-[3-[6-(2-fluorophenyl)-2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]propyl]-2-(6-methyl-2-pyridinyl)pyrimidine?
The canonical SMILES for 4-(2-fluorophenyl)-6-[3-[6-(2-fluorophenyl)-2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]propyl]-2-(6-methyl-2-pyridinyl)pyrimidine is Cc1cccc(-c2nc(CCCc3cc(-c4ccccc4F)nc(-c4cccc(C)n4)n3)cc(-c3ccccc3F)n2)n1.
What is the InChIKey of 4-(2-fluorophenyl)-6-[3-[6-(2-fluorophenyl)-2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]propyl]-2-(6-methyl-2-pyridinyl)pyrimidine?
The InChIKey is NKRFUMRGWVCJCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H28F2N6/c1-22-10-7-18-30(38-22)34-40-24(20-32(42-34)26-14-3-5-16-28(26)36)12-9-13-25-21-33(27-15-4-6-17-29(27)37)43-35(41-25)31-19-8-11-23(2)39-31/h3-8,10-11,14-21H,9,12-13H2,1-2H3.
What are the key properties of 4-(2-fluorophenyl)-6-[3-[6-(2-fluorophenyl)-2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]propyl]-2-(6-methyl-2-pyridinyl)pyrimidine?
4-(2-fluorophenyl)-6-[3-[6-(2-fluorophenyl)-2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]propyl]-2-(6-methyl-2-pyridinyl)pyrimidine has a molecular weight of 570.65 g/mol, XLogP of 7.79, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-6-[3-[6-(2-fluorophenyl)-2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]propyl]-2-(6-methyl-2-pyridinyl)pyrimidine is sourced from PubChem (CID 71277470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).