2-cyclopropyl-4-[2-(4-fluorophenoxy)ethylamino]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one

C18H19FN4O2 — CID 171387199

IUPAC2-cyclopropyl-4-[2-(4-fluorophenoxy)ethylamino]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
SMILESO=C1NCCc2c(NCCOc3ccc(F)cc3)nc(C3CC3)nc21
InChIInChI=1S/C18H19FN4O2/c19-12-3-5-13(6-4-12)25-10-9-20-17-14-7-8-21-18(24)15(14)22-16(23-17)11-1-2-11/h3-6,11H,1-2,7-10H2,(H,21,24)(H,20,22,23)
InChIKeyTWYIEOLFTMRKTD-UHFFFAOYSA-N
MW342.37 g/mol
LogP2.27
Rot. Bonds6

About 2-cyclopropyl-4-[2-(4-fluorophenoxy)ethylamino]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one

2-cyclopropyl-4-[2-(4-fluorophenoxy)ethylamino]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one (PubChem CID 171387199) has the molecular formula C18H19FN4O2 and a molecular weight of 342.37 g/mol. Its IUPAC name is 2-cyclopropyl-4-[2-(4-fluorophenoxy)ethylamino]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one.

Molecular Properties

Compound Name2-cyclopropyl-4-[2-(4-fluorophenoxy)ethylamino]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
PubChem CID171387199
Molecular FormulaC18H19FN4O2
Molecular Weight342.37 g/mol
Exact Mass342.15
IUPAC Name2-cyclopropyl-4-[2-(4-fluorophenoxy)ethylamino]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
SMILESO=C1NCCc2c(NCCOc3ccc(F)cc3)nc(C3CC3)nc21
InChIInChI=1S/C18H19FN4O2/c19-12-3-5-13(6-4-12)25-10-9-20-17-14-7-8-21-18(24)15(14)22-16(23-17)11-1-2-11/h3-6,11H,1-2,7-10H2,(H,21,24)(H,20,22,23)
InChIKeyTWYIEOLFTMRKTD-UHFFFAOYSA-N
XLogP2.27
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-[2-(4-fluorophenoxy)ethylamino]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one?
The IUPAC name of 2-cyclopropyl-4-[2-(4-fluorophenoxy)ethylamino]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one (CID 171387199) is 2-cyclopropyl-4-[2-(4-fluorophenoxy)ethylamino]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one.
What is the SMILES notation for 2-cyclopropyl-4-[2-(4-fluorophenoxy)ethylamino]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one?
The canonical SMILES for 2-cyclopropyl-4-[2-(4-fluorophenoxy)ethylamino]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one is O=C1NCCc2c(NCCOc3ccc(F)cc3)nc(C3CC3)nc21.
What is the InChIKey of 2-cyclopropyl-4-[2-(4-fluorophenoxy)ethylamino]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one?
The InChIKey is TWYIEOLFTMRKTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O2/c19-12-3-5-13(6-4-12)25-10-9-20-17-14-7-8-21-18(24)15(14)22-16(23-17)11-1-2-11/h3-6,11H,1-2,7-10H2,(H,21,24)(H,20,22,23).
What are the key properties of 2-cyclopropyl-4-[2-(4-fluorophenoxy)ethylamino]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one?
2-cyclopropyl-4-[2-(4-fluorophenoxy)ethylamino]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one has a molecular weight of 342.37 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-[2-(4-fluorophenoxy)ethylamino]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one is sourced from PubChem (CID 171387199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).