4-ethoxy-6-(4-fluorophenyl)-N-pentan-2-ylpyrido[3,2-d]pyrimidin-2-amine

C20H23FN4O — CID 69098748

IUPAC4-ethoxy-6-(4-fluorophenyl)-N-pentan-2-ylpyrido[3,2-d]pyrimidin-2-amine
SMILESCCCC(C)Nc1nc(OCC)c2nc(-c3ccc(F)cc3)ccc2n1
InChIInChI=1S/C20H23FN4O/c1-4-6-13(3)22-20-24-17-12-11-16(14-7-9-15(21)10-8-14)23-18(17)19(25-20)26-5-2/h7-13H,4-6H2,1-3H3,(H,22,24,25)
InChIKeyBQOBKLPEPDKMHD-UHFFFAOYSA-N
MW354.43 g/mol
LogP4.83
Rot. Bonds7

About 4-ethoxy-6-(4-fluorophenyl)-N-pentan-2-ylpyrido[3,2-d]pyrimidin-2-amine

4-ethoxy-6-(4-fluorophenyl)-N-pentan-2-ylpyrido[3,2-d]pyrimidin-2-amine (PubChem CID 69098748) has the molecular formula C20H23FN4O and a molecular weight of 354.43 g/mol. Its IUPAC name is 4-ethoxy-6-(4-fluorophenyl)-N-pentan-2-ylpyrido[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-ethoxy-6-(4-fluorophenyl)-N-pentan-2-ylpyrido[3,2-d]pyrimidin-2-amine
PubChem CID69098748
Molecular FormulaC20H23FN4O
Molecular Weight354.43 g/mol
Exact Mass354.19
IUPAC Name4-ethoxy-6-(4-fluorophenyl)-N-pentan-2-ylpyrido[3,2-d]pyrimidin-2-amine
SMILESCCCC(C)Nc1nc(OCC)c2nc(-c3ccc(F)cc3)ccc2n1
InChIInChI=1S/C20H23FN4O/c1-4-6-13(3)22-20-24-17-12-11-16(14-7-9-15(21)10-8-14)23-18(17)19(25-20)26-5-2/h7-13H,4-6H2,1-3H3,(H,22,24,25)
InChIKeyBQOBKLPEPDKMHD-UHFFFAOYSA-N
XLogP4.83
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-6-(4-fluorophenyl)-N-pentan-2-ylpyrido[3,2-d]pyrimidin-2-amine?
The IUPAC name of 4-ethoxy-6-(4-fluorophenyl)-N-pentan-2-ylpyrido[3,2-d]pyrimidin-2-amine (CID 69098748) is 4-ethoxy-6-(4-fluorophenyl)-N-pentan-2-ylpyrido[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for 4-ethoxy-6-(4-fluorophenyl)-N-pentan-2-ylpyrido[3,2-d]pyrimidin-2-amine?
The canonical SMILES for 4-ethoxy-6-(4-fluorophenyl)-N-pentan-2-ylpyrido[3,2-d]pyrimidin-2-amine is CCCC(C)Nc1nc(OCC)c2nc(-c3ccc(F)cc3)ccc2n1.
What is the InChIKey of 4-ethoxy-6-(4-fluorophenyl)-N-pentan-2-ylpyrido[3,2-d]pyrimidin-2-amine?
The InChIKey is BQOBKLPEPDKMHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O/c1-4-6-13(3)22-20-24-17-12-11-16(14-7-9-15(21)10-8-14)23-18(17)19(25-20)26-5-2/h7-13H,4-6H2,1-3H3,(H,22,24,25).
What are the key properties of 4-ethoxy-6-(4-fluorophenyl)-N-pentan-2-ylpyrido[3,2-d]pyrimidin-2-amine?
4-ethoxy-6-(4-fluorophenyl)-N-pentan-2-ylpyrido[3,2-d]pyrimidin-2-amine has a molecular weight of 354.43 g/mol, XLogP of 4.83, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-6-(4-fluorophenyl)-N-pentan-2-ylpyrido[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 69098748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).