4-[6-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine

C17H24N6O2 — CID 86773300

IUPAC4-[6-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine
SMILESCCCc1nc(CN2CCc3ncnc(N4CCOCC4)c3C2)no1
InChIInChI=1S/C17H24N6O2/c1-2-3-16-20-15(21-25-16)11-22-5-4-14-13(10-22)17(19-12-18-14)23-6-8-24-9-7-23/h12H,2-11H2,1H3
InChIKeyNHDDGJBNXBEXCO-UHFFFAOYSA-N
MW344.42 g/mol
LogP1.21
Rot. Bonds5

About 4-[6-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine

4-[6-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine (PubChem CID 86773300) has the molecular formula C17H24N6O2 and a molecular weight of 344.42 g/mol. Its IUPAC name is 4-[6-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine
PubChem CID86773300
Molecular FormulaC17H24N6O2
Molecular Weight344.42 g/mol
Exact Mass344.20
IUPAC Name4-[6-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine
SMILESCCCc1nc(CN2CCc3ncnc(N4CCOCC4)c3C2)no1
InChIInChI=1S/C17H24N6O2/c1-2-3-16-20-15(21-25-16)11-22-5-4-14-13(10-22)17(19-12-18-14)23-6-8-24-9-7-23/h12H,2-11H2,1H3
InChIKeyNHDDGJBNXBEXCO-UHFFFAOYSA-N
XLogP1.21
TPSA80.41 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[6-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine (CID 86773300) is 4-[6-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[6-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[6-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine is CCCc1nc(CN2CCc3ncnc(N4CCOCC4)c3C2)no1.
What is the InChIKey of 4-[6-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine?
The InChIKey is NHDDGJBNXBEXCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O2/c1-2-3-16-20-15(21-25-16)11-22-5-4-14-13(10-22)17(19-12-18-14)23-6-8-24-9-7-23/h12H,2-11H2,1H3.
What are the key properties of 4-[6-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine?
4-[6-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine has a molecular weight of 344.42 g/mol, XLogP of 1.21, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 86773300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).