6-(difluoromethyl)-4-(2,4-difluorophenyl)-7-methylpteridine

C14H8F4N4 — CID 166121869

IUPAC6-(difluoromethyl)-4-(2,4-difluorophenyl)-7-methylpteridine
SMILESCc1nc2ncnc(-c3ccc(F)cc3F)c2nc1C(F)F
InChIInChI=1S/C14H8F4N4/c1-6-10(13(17)18)22-12-11(19-5-20-14(12)21-6)8-3-2-7(15)4-9(8)16/h2-5,13H,1H3
InChIKeyJMEPOCZXEJJZKY-UHFFFAOYSA-N
MW308.24 g/mol
LogP3.61
Rot. Bonds2

About 6-(difluoromethyl)-4-(2,4-difluorophenyl)-7-methylpteridine

6-(difluoromethyl)-4-(2,4-difluorophenyl)-7-methylpteridine (PubChem CID 166121869) has the molecular formula C14H8F4N4 and a molecular weight of 308.24 g/mol. Its IUPAC name is 6-(difluoromethyl)-4-(2,4-difluorophenyl)-7-methylpteridine.

Molecular Properties

Compound Name6-(difluoromethyl)-4-(2,4-difluorophenyl)-7-methylpteridine
PubChem CID166121869
Molecular FormulaC14H8F4N4
Molecular Weight308.24 g/mol
Exact Mass308.07
IUPAC Name6-(difluoromethyl)-4-(2,4-difluorophenyl)-7-methylpteridine
SMILESCc1nc2ncnc(-c3ccc(F)cc3F)c2nc1C(F)F
InChIInChI=1S/C14H8F4N4/c1-6-10(13(17)18)22-12-11(19-5-20-14(12)21-6)8-3-2-7(15)4-9(8)16/h2-5,13H,1H3
InChIKeyJMEPOCZXEJJZKY-UHFFFAOYSA-N
XLogP3.61
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.24
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-4-(2,4-difluorophenyl)-7-methylpteridine?
The IUPAC name of 6-(difluoromethyl)-4-(2,4-difluorophenyl)-7-methylpteridine (CID 166121869) is 6-(difluoromethyl)-4-(2,4-difluorophenyl)-7-methylpteridine.
What is the SMILES notation for 6-(difluoromethyl)-4-(2,4-difluorophenyl)-7-methylpteridine?
The canonical SMILES for 6-(difluoromethyl)-4-(2,4-difluorophenyl)-7-methylpteridine is Cc1nc2ncnc(-c3ccc(F)cc3F)c2nc1C(F)F.
What is the InChIKey of 6-(difluoromethyl)-4-(2,4-difluorophenyl)-7-methylpteridine?
The InChIKey is JMEPOCZXEJJZKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F4N4/c1-6-10(13(17)18)22-12-11(19-5-20-14(12)21-6)8-3-2-7(15)4-9(8)16/h2-5,13H,1H3.
What are the key properties of 6-(difluoromethyl)-4-(2,4-difluorophenyl)-7-methylpteridine?
6-(difluoromethyl)-4-(2,4-difluorophenyl)-7-methylpteridine has a molecular weight of 308.24 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-4-(2,4-difluorophenyl)-7-methylpteridine is sourced from PubChem (CID 166121869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).