N-(3,5-dimethylphenyl)-1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-amine

C18H22N6O — CID 8548148

IUPACN-(3,5-dimethylphenyl)-1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-amine
SMILESCc1cc(C)cc(Nc2nc(N3CCOCC3)c3cnn(C)c3n2)c1
InChIInChI=1S/C18H22N6O/c1-12-8-13(2)10-14(9-12)20-18-21-16-15(11-19-23(16)3)17(22-18)24-4-6-25-7-5-24/h8-11H,4-7H2,1-3H3,(H,20,21,22)
InChIKeyFLPKQTRAMWCOSE-UHFFFAOYSA-N
MW338.42 g/mol
LogP2.56
Rot. Bonds3

About N-(3,5-dimethylphenyl)-1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-amine

N-(3,5-dimethylphenyl)-1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-amine (PubChem CID 8548148) has the molecular formula C18H22N6O and a molecular weight of 338.42 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-amine.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-amine
PubChem CID8548148
Molecular FormulaC18H22N6O
Molecular Weight338.42 g/mol
Exact Mass338.19
IUPAC NameN-(3,5-dimethylphenyl)-1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-amine
SMILESCc1cc(C)cc(Nc2nc(N3CCOCC3)c3cnn(C)c3n2)c1
InChIInChI=1S/C18H22N6O/c1-12-8-13(2)10-14(9-12)20-18-21-16-15(11-19-23(16)3)17(22-18)24-4-6-25-7-5-24/h8-11H,4-7H2,1-3H3,(H,20,21,22)
InChIKeyFLPKQTRAMWCOSE-UHFFFAOYSA-N
XLogP2.56
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-amine?
The IUPAC name of N-(3,5-dimethylphenyl)-1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-amine (CID 8548148) is N-(3,5-dimethylphenyl)-1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-amine.
What is the SMILES notation for N-(3,5-dimethylphenyl)-1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-amine?
The canonical SMILES for N-(3,5-dimethylphenyl)-1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-amine is Cc1cc(C)cc(Nc2nc(N3CCOCC3)c3cnn(C)c3n2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-amine?
The InChIKey is FLPKQTRAMWCOSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O/c1-12-8-13(2)10-14(9-12)20-18-21-16-15(11-19-23(16)3)17(22-18)24-4-6-25-7-5-24/h8-11H,4-7H2,1-3H3,(H,20,21,22).
What are the key properties of N-(3,5-dimethylphenyl)-1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-amine?
N-(3,5-dimethylphenyl)-1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-amine has a molecular weight of 338.42 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-amine is sourced from PubChem (CID 8548148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).