4-(4-chloro-2-fluorophenyl)-2-cyclohexyl-6,7-dimethylpteridine

C20H20ClFN4 — CID 166122261

IUPAC4-(4-chloro-2-fluorophenyl)-2-cyclohexyl-6,7-dimethylpteridine
SMILESCc1nc2nc(C3CCCCC3)nc(-c3ccc(Cl)cc3F)c2nc1C
InChIInChI=1S/C20H20ClFN4/c1-11-12(2)24-20-18(23-11)17(15-9-8-14(21)10-16(15)22)25-19(26-20)13-6-4-3-5-7-13/h8-10,13H,3-7H2,1-2H3
InChIKeyXPSQMXXVEHXSBD-UHFFFAOYSA-N
MW370.86 g/mol
LogP5.54
Rot. Bonds2

About 4-(4-chloro-2-fluorophenyl)-2-cyclohexyl-6,7-dimethylpteridine

4-(4-chloro-2-fluorophenyl)-2-cyclohexyl-6,7-dimethylpteridine (PubChem CID 166122261) has the molecular formula C20H20ClFN4 and a molecular weight of 370.86 g/mol. Its IUPAC name is 4-(4-chloro-2-fluorophenyl)-2-cyclohexyl-6,7-dimethylpteridine.

Molecular Properties

Compound Name4-(4-chloro-2-fluorophenyl)-2-cyclohexyl-6,7-dimethylpteridine
PubChem CID166122261
Molecular FormulaC20H20ClFN4
Molecular Weight370.86 g/mol
Exact Mass370.14
IUPAC Name4-(4-chloro-2-fluorophenyl)-2-cyclohexyl-6,7-dimethylpteridine
SMILESCc1nc2nc(C3CCCCC3)nc(-c3ccc(Cl)cc3F)c2nc1C
InChIInChI=1S/C20H20ClFN4/c1-11-12(2)24-20-18(23-11)17(15-9-8-14(21)10-16(15)22)25-19(26-20)13-6-4-3-5-7-13/h8-10,13H,3-7H2,1-2H3
InChIKeyXPSQMXXVEHXSBD-UHFFFAOYSA-N
XLogP5.54
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.86
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-chloro-2-fluorophenyl)-6,7-dimethyl-2-[(2R,4S)-2-(2-methylpyrimidin-5-yl)oxan-4-yl]pteridine
CID 157044476
4-(4-chloro-2-fluorophenyl)-6,7-dimethyl-2-[2-(2-methylpyrimidin-5-yl)oxan-4-yl]pteridine
CID 157045272
4-(4-chloro-2-fluorophenyl)-6,7-dimethyl-2-[(2R,4R)-2-(1-methylpyrazol-4-yl)oxan-4-yl]pteridine
CID 157044971
5-[4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridin-2-yl]-1-(1-cyclopropylpyrazol-4-yl)piperidin-2-one
CID 166122199
4-(4-chloro-2-fluorophenyl)-2-[3-(1-cyclopropylpyrazol-4-yl)piperidin-1-yl]-6,7-dimethylpteridine
CID 166834602
5-(4-chloro-2-fluorophenyl)-2-cyclohexyl-3-methylimidazol-4-amine
CID 114859800
4-(4-chloro-2-fluorophenyl)-2-(4,4-difluoropiperidin-1-yl)-6,7-dimethylpteridine
CID 157044679
4-[4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridin-2-yl]oxan-4-ol
CID 166122294
2-chloro-4-(4-chloro-2-methylphenyl)-6,7-dimethylpteridine
CID 157045018
4-(4-chloro-2-fluorophenyl)-2-[2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-6-methoxy-7-methylpteridine
CID 166122783
1-(1-bicyclo[1.1.1]pentanyl)pyrazole;4-(2,4-difluorophenyl)-6,7-dimethyl-2-(oxan-4-yl)pteridine
CID 166123038
2-chloro-4-(2,5-difluorophenyl)-6,7-dimethylpteridine
CID 178120678

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-fluorophenyl)-2-cyclohexyl-6,7-dimethylpteridine?
The IUPAC name of 4-(4-chloro-2-fluorophenyl)-2-cyclohexyl-6,7-dimethylpteridine (CID 166122261) is 4-(4-chloro-2-fluorophenyl)-2-cyclohexyl-6,7-dimethylpteridine.
What is the SMILES notation for 4-(4-chloro-2-fluorophenyl)-2-cyclohexyl-6,7-dimethylpteridine?
The canonical SMILES for 4-(4-chloro-2-fluorophenyl)-2-cyclohexyl-6,7-dimethylpteridine is Cc1nc2nc(C3CCCCC3)nc(-c3ccc(Cl)cc3F)c2nc1C.
What is the InChIKey of 4-(4-chloro-2-fluorophenyl)-2-cyclohexyl-6,7-dimethylpteridine?
The InChIKey is XPSQMXXVEHXSBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClFN4/c1-11-12(2)24-20-18(23-11)17(15-9-8-14(21)10-16(15)22)25-19(26-20)13-6-4-3-5-7-13/h8-10,13H,3-7H2,1-2H3.
What are the key properties of 4-(4-chloro-2-fluorophenyl)-2-cyclohexyl-6,7-dimethylpteridine?
4-(4-chloro-2-fluorophenyl)-2-cyclohexyl-6,7-dimethylpteridine has a molecular weight of 370.86 g/mol, XLogP of 5.54, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-fluorophenyl)-2-cyclohexyl-6,7-dimethylpteridine is sourced from PubChem (CID 166122261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).