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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Related Compounds

5-cyclopropyl-1,2,4-oxadiazole;4-(2,4-difluorophenyl)-6,7-dimethylpteridine;oxane
CID 166122679
1-cyclopropylpyrazole;4-(2,4-difluorophenyl)-6,7-dimethylpteridine;oxepane
CID 166122534
4-(2,4-difluorophenyl)-6-methylpyrimidine-5-carboxylic acid
CID 82297355
8-(2,4-difluorophenyl)-2,3-dimethylpyrimido[5,4-d]pyrimidin-4-one
CID 168887613
4-(2,4-difluorophenyl)-6,7-dimethylpteridine;1-(2-fluoroethyl)-4-(oxan-2-yl)pyrazole
CID 166122042
4-(2,4-difluorophenyl)-6,7-dimethylpteridine;4-[(2R)-oxan-2-yl]-1-(oxetan-3-yl)pyrazole
CID 166122277
4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridine;1-methylpyrazole;oxane
CID 157044828
4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]-1,4-oxazepane
CID 166122258
7-chloro-5-(2,4-difluorophenyl)-2-methylpyrido[3,4-b]pyrazine
CID 157044809
2-(2,4-difluorophenyl)-3-fluoropyridine
CID 102309458
2-chloro-4-(2,5-difluorophenyl)-6,7-dimethylpteridine
CID 178120678
4-(2,4-difluorophenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 58378133

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).