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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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).