4-cyclohexyloxy-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-2-amine

C19H19FN4O — CID 24958393

IUPAC4-cyclohexyloxy-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-2-amine
SMILESNc1nc(OC2CCCCC2)c2nc(-c3ccc(F)cc3)ccc2n1
InChIInChI=1S/C19H19FN4O/c20-13-8-6-12(7-9-13)15-10-11-16-17(22-15)18(24-19(21)23-16)25-14-4-2-1-3-5-14/h6-11,14H,1-5H2,(H2,21,23,24)
InChIKeyXBMASGNJMYTJIW-UHFFFAOYSA-N
MW338.39 g/mol
LogP4.12
Rot. Bonds3

About 4-cyclohexyloxy-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-2-amine

4-cyclohexyloxy-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-2-amine (PubChem CID 24958393) has the molecular formula C19H19FN4O and a molecular weight of 338.39 g/mol. Its IUPAC name is 4-cyclohexyloxy-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-cyclohexyloxy-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-2-amine
PubChem CID24958393
Molecular FormulaC19H19FN4O
Molecular Weight338.39 g/mol
Exact Mass338.15
IUPAC Name4-cyclohexyloxy-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-2-amine
SMILESNc1nc(OC2CCCCC2)c2nc(-c3ccc(F)cc3)ccc2n1
InChIInChI=1S/C19H19FN4O/c20-13-8-6-12(7-9-13)15-10-11-16-17(22-15)18(24-19(21)23-16)25-14-4-2-1-3-5-14/h6-11,14H,1-5H2,(H2,21,23,24)
InChIKeyXBMASGNJMYTJIW-UHFFFAOYSA-N
XLogP4.12
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-cyclohexyloxy-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyloxy-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-2-amine?
The IUPAC name of 4-cyclohexyloxy-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-2-amine (CID 24958393) is 4-cyclohexyloxy-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for 4-cyclohexyloxy-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-2-amine?
The canonical SMILES for 4-cyclohexyloxy-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-2-amine is Nc1nc(OC2CCCCC2)c2nc(-c3ccc(F)cc3)ccc2n1.
What is the InChIKey of 4-cyclohexyloxy-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-2-amine?
The InChIKey is XBMASGNJMYTJIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O/c20-13-8-6-12(7-9-13)15-10-11-16-17(22-15)18(24-19(21)23-16)25-14-4-2-1-3-5-14/h6-11,14H,1-5H2,(H2,21,23,24).
What are the key properties of 4-cyclohexyloxy-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-2-amine?
4-cyclohexyloxy-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-2-amine has a molecular weight of 338.39 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyloxy-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 24958393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).