4-[1-methyl-4-(3-methylphenoxy)pyrazolo[5,4-d]pyrimidin-6-yl]morpholine

C17H19N5O2 — CID 70702029

IUPAC4-[1-methyl-4-(3-methylphenoxy)pyrazolo[5,4-d]pyrimidin-6-yl]morpholine
SMILESCc1cccc(Oc2nc(N3CCOCC3)nc3c2cnn3C)c1
InChIInChI=1S/C17H19N5O2/c1-12-4-3-5-13(10-12)24-16-14-11-18-21(2)15(14)19-17(20-16)22-6-8-23-9-7-22/h3-5,10-11H,6-9H2,1-2H3
InChIKeyRCXYMIYIJCKJHA-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.30
Rot. Bonds3

About 4-[1-methyl-4-(3-methylphenoxy)pyrazolo[5,4-d]pyrimidin-6-yl]morpholine

4-[1-methyl-4-(3-methylphenoxy)pyrazolo[5,4-d]pyrimidin-6-yl]morpholine (PubChem CID 70702029) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 4-[1-methyl-4-(3-methylphenoxy)pyrazolo[5,4-d]pyrimidin-6-yl]morpholine.

Molecular Properties

Compound Name4-[1-methyl-4-(3-methylphenoxy)pyrazolo[5,4-d]pyrimidin-6-yl]morpholine
PubChem CID70702029
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name4-[1-methyl-4-(3-methylphenoxy)pyrazolo[5,4-d]pyrimidin-6-yl]morpholine
SMILESCc1cccc(Oc2nc(N3CCOCC3)nc3c2cnn3C)c1
InChIInChI=1S/C17H19N5O2/c1-12-4-3-5-13(10-12)24-16-14-11-18-21(2)15(14)19-17(20-16)22-6-8-23-9-7-22/h3-5,10-11H,6-9H2,1-2H3
InChIKeyRCXYMIYIJCKJHA-UHFFFAOYSA-N
XLogP2.30
TPSA65.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[1-methyl-4-(3-methylphenoxy)pyrazolo[5,4-d]pyrimidin-6-yl]morpholine?
The IUPAC name of 4-[1-methyl-4-(3-methylphenoxy)pyrazolo[5,4-d]pyrimidin-6-yl]morpholine (CID 70702029) is 4-[1-methyl-4-(3-methylphenoxy)pyrazolo[5,4-d]pyrimidin-6-yl]morpholine.
What is the SMILES notation for 4-[1-methyl-4-(3-methylphenoxy)pyrazolo[5,4-d]pyrimidin-6-yl]morpholine?
The canonical SMILES for 4-[1-methyl-4-(3-methylphenoxy)pyrazolo[5,4-d]pyrimidin-6-yl]morpholine is Cc1cccc(Oc2nc(N3CCOCC3)nc3c2cnn3C)c1.
What is the InChIKey of 4-[1-methyl-4-(3-methylphenoxy)pyrazolo[5,4-d]pyrimidin-6-yl]morpholine?
The InChIKey is RCXYMIYIJCKJHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-12-4-3-5-13(10-12)24-16-14-11-18-21(2)15(14)19-17(20-16)22-6-8-23-9-7-22/h3-5,10-11H,6-9H2,1-2H3.
What are the key properties of 4-[1-methyl-4-(3-methylphenoxy)pyrazolo[5,4-d]pyrimidin-6-yl]morpholine?
4-[1-methyl-4-(3-methylphenoxy)pyrazolo[5,4-d]pyrimidin-6-yl]morpholine has a molecular weight of 325.37 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-methyl-4-(3-methylphenoxy)pyrazolo[5,4-d]pyrimidin-6-yl]morpholine is sourced from PubChem (CID 70702029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).