4-[6-[(4-fluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine

C18H21FN4O — CID 20960631

IUPAC4-[6-[(4-fluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine
SMILESFc1ccc(CN2CCc3nc(N4CCOCC4)ncc3C2)cc1
InChIInChI=1S/C18H21FN4O/c19-16-3-1-14(2-4-16)12-22-6-5-17-15(13-22)11-20-18(21-17)23-7-9-24-10-8-23/h1-4,11H,5-10,12-13H2
InChIKeyZMLBEXITJFYFJN-UHFFFAOYSA-N
MW328.39 g/mol
LogP2.01
Rot. Bonds3

About 4-[6-[(4-fluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine

4-[6-[(4-fluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine (PubChem CID 20960631) has the molecular formula C18H21FN4O and a molecular weight of 328.39 g/mol. Its IUPAC name is 4-[6-[(4-fluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[6-[(4-fluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine
PubChem CID20960631
Molecular FormulaC18H21FN4O
Molecular Weight328.39 g/mol
Exact Mass328.17
IUPAC Name4-[6-[(4-fluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine
SMILESFc1ccc(CN2CCc3nc(N4CCOCC4)ncc3C2)cc1
InChIInChI=1S/C18H21FN4O/c19-16-3-1-14(2-4-16)12-22-6-5-17-15(13-22)11-20-18(21-17)23-7-9-24-10-8-23/h1-4,11H,5-10,12-13H2
InChIKeyZMLBEXITJFYFJN-UHFFFAOYSA-N
XLogP2.01
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[(4-fluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine?
The IUPAC name of 4-[6-[(4-fluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine (CID 20960631) is 4-[6-[(4-fluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[6-[(4-fluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[6-[(4-fluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine is Fc1ccc(CN2CCc3nc(N4CCOCC4)ncc3C2)cc1.
What is the InChIKey of 4-[6-[(4-fluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine?
The InChIKey is ZMLBEXITJFYFJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O/c19-16-3-1-14(2-4-16)12-22-6-5-17-15(13-22)11-20-18(21-17)23-7-9-24-10-8-23/h1-4,11H,5-10,12-13H2.
What are the key properties of 4-[6-[(4-fluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine?
4-[6-[(4-fluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine has a molecular weight of 328.39 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[(4-fluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine is sourced from PubChem (CID 20960631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).