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

C24H24N8O2 — CID 59239327

IUPAC4-[2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]morpholine
SMILESCc1nnc(-c2ccc(-c3nc4c(c(N5CCOCC5)n3)CCN(c3ncccn3)C4)cc2)o1
InChIInChI=1S/C24H24N8O2/c1-16-29-30-23(34-16)18-5-3-17(4-6-18)21-27-20-15-32(24-25-8-2-9-26-24)10-7-19(20)22(28-21)31-11-13-33-14-12-31/h2-6,8-9H,7,10-15H2,1H3
InChIKeyDBFDZMNJARSUCK-UHFFFAOYSA-N
MW456.51 g/mol
LogP2.69
Rot. Bonds4

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

4-[2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]morpholine (PubChem CID 59239327) has the molecular formula C24H24N8O2 and a molecular weight of 456.51 g/mol. Its IUPAC name is 4-[2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]morpholine
PubChem CID59239327
Molecular FormulaC24H24N8O2
Molecular Weight456.51 g/mol
Exact Mass456.20
IUPAC Name4-[2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]morpholine
SMILESCc1nnc(-c2ccc(-c3nc4c(c(N5CCOCC5)n3)CCN(c3ncccn3)C4)cc2)o1
InChIInChI=1S/C24H24N8O2/c1-16-29-30-23(34-16)18-5-3-17(4-6-18)21-27-20-15-32(24-25-8-2-9-26-24)10-7-19(20)22(28-21)31-11-13-33-14-12-31/h2-6,8-9H,7,10-15H2,1H3
InChIKeyDBFDZMNJARSUCK-UHFFFAOYSA-N
XLogP2.69
TPSA106.19 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.51
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]morpholine (CID 59239327) is 4-[2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]morpholine is Cc1nnc(-c2ccc(-c3nc4c(c(N5CCOCC5)n3)CCN(c3ncccn3)C4)cc2)o1.
What is the InChIKey of 4-[2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]morpholine?
The InChIKey is DBFDZMNJARSUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N8O2/c1-16-29-30-23(34-16)18-5-3-17(4-6-18)21-27-20-15-32(24-25-8-2-9-26-24)10-7-19(20)22(28-21)31-11-13-33-14-12-31/h2-6,8-9H,7,10-15H2,1H3.
What are the key properties of 4-[2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]morpholine?
4-[2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]morpholine has a molecular weight of 456.51 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 59239327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).