N-(4-ethoxyphenyl)-1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-amine

C18H22N6O2 — CID 7162579

IUPACN-(4-ethoxyphenyl)-1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-amine
SMILESCCOc1ccc(Nc2nc(N3CCOCC3)c3cnn(C)c3n2)cc1
InChIInChI=1S/C18H22N6O2/c1-3-26-14-6-4-13(5-7-14)20-18-21-16-15(12-19-23(16)2)17(22-18)24-8-10-25-11-9-24/h4-7,12H,3,8-11H2,1-2H3,(H,20,21,22)
InChIKeyFQZVEMPLUPEHCB-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.34
Rot. Bonds5

About N-(4-ethoxyphenyl)-1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-amine

N-(4-ethoxyphenyl)-1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-amine (PubChem CID 7162579) has the molecular formula C18H22N6O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-amine.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-amine
PubChem CID7162579
Molecular FormulaC18H22N6O2
Molecular Weight354.41 g/mol
Exact Mass354.18
IUPAC NameN-(4-ethoxyphenyl)-1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-amine
SMILESCCOc1ccc(Nc2nc(N3CCOCC3)c3cnn(C)c3n2)cc1
InChIInChI=1S/C18H22N6O2/c1-3-26-14-6-4-13(5-7-14)20-18-21-16-15(12-19-23(16)2)17(22-18)24-8-10-25-11-9-24/h4-7,12H,3,8-11H2,1-2H3,(H,20,21,22)
InChIKeyFQZVEMPLUPEHCB-UHFFFAOYSA-N
XLogP2.34
TPSA77.33 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-amine?
The IUPAC name of N-(4-ethoxyphenyl)-1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-amine (CID 7162579) is N-(4-ethoxyphenyl)-1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-amine.
What is the SMILES notation for N-(4-ethoxyphenyl)-1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-amine?
The canonical SMILES for N-(4-ethoxyphenyl)-1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-amine is CCOc1ccc(Nc2nc(N3CCOCC3)c3cnn(C)c3n2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-amine?
The InChIKey is FQZVEMPLUPEHCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O2/c1-3-26-14-6-4-13(5-7-14)20-18-21-16-15(12-19-23(16)2)17(22-18)24-8-10-25-11-9-24/h4-7,12H,3,8-11H2,1-2H3,(H,20,21,22).
What are the key properties of N-(4-ethoxyphenyl)-1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-amine?
N-(4-ethoxyphenyl)-1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-amine has a molecular weight of 354.41 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-amine is sourced from PubChem (CID 7162579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).