5-[(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-3-(2-methylpropyl)-1,2,4-oxadiazole

C15H21N5O2 — CID 86773074

IUPAC5-[(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-3-(2-methylpropyl)-1,2,4-oxadiazole
SMILESCOc1ncnc2c1CN(Cc1nc(CC(C)C)no1)CC2
InChIInChI=1S/C15H21N5O2/c1-10(2)6-13-18-14(22-19-13)8-20-5-4-12-11(7-20)15(21-3)17-9-16-12/h9-10H,4-8H2,1-3H3
InChIKeyKJYXEZXOZZBTIS-UHFFFAOYSA-N
MW303.37 g/mol
LogP1.62
Rot. Bonds5

About 5-[(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-3-(2-methylpropyl)-1,2,4-oxadiazole

5-[(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-3-(2-methylpropyl)-1,2,4-oxadiazole (PubChem CID 86773074) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is 5-[(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-3-(2-methylpropyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-3-(2-methylpropyl)-1,2,4-oxadiazole
PubChem CID86773074
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Name5-[(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-3-(2-methylpropyl)-1,2,4-oxadiazole
SMILESCOc1ncnc2c1CN(Cc1nc(CC(C)C)no1)CC2
InChIInChI=1S/C15H21N5O2/c1-10(2)6-13-18-14(22-19-13)8-20-5-4-12-11(7-20)15(21-3)17-9-16-12/h9-10H,4-8H2,1-3H3
InChIKeyKJYXEZXOZZBTIS-UHFFFAOYSA-N
XLogP1.62
TPSA77.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-3-(2-methylpropyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-3-(2-methylpropyl)-1,2,4-oxadiazole (CID 86773074) is 5-[(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-3-(2-methylpropyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-3-(2-methylpropyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-3-(2-methylpropyl)-1,2,4-oxadiazole is COc1ncnc2c1CN(Cc1nc(CC(C)C)no1)CC2.
What is the InChIKey of 5-[(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-3-(2-methylpropyl)-1,2,4-oxadiazole?
The InChIKey is KJYXEZXOZZBTIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-10(2)6-13-18-14(22-19-13)8-20-5-4-12-11(7-20)15(21-3)17-9-16-12/h9-10H,4-8H2,1-3H3.
What are the key properties of 5-[(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-3-(2-methylpropyl)-1,2,4-oxadiazole?
5-[(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-3-(2-methylpropyl)-1,2,4-oxadiazole has a molecular weight of 303.37 g/mol, XLogP of 1.62, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-3-(2-methylpropyl)-1,2,4-oxadiazole is sourced from PubChem (CID 86773074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).