1-methyl-4-morpholin-4-yl-N-(3-morpholin-4-ylpropyl)pyrazolo[5,4-d]pyrimidin-6-amine

C17H27N7O2 — CID 46345391

IUPAC1-methyl-4-morpholin-4-yl-N-(3-morpholin-4-ylpropyl)pyrazolo[5,4-d]pyrimidin-6-amine
SMILESCn1ncc2c(N3CCOCC3)nc(NCCCN3CCOCC3)nc21
InChIInChI=1S/C17H27N7O2/c1-22-15-14(13-19-22)16(24-7-11-26-12-8-24)21-17(20-15)18-3-2-4-23-5-9-25-10-6-23/h13H,2-12H2,1H3,(H,18,20,21)
InChIKeyQXPFUKAUCUIQNO-UHFFFAOYSA-N
MW361.45 g/mol
LogP0.33
Rot. Bonds6

About 1-methyl-4-morpholin-4-yl-N-(3-morpholin-4-ylpropyl)pyrazolo[5,4-d]pyrimidin-6-amine

1-methyl-4-morpholin-4-yl-N-(3-morpholin-4-ylpropyl)pyrazolo[5,4-d]pyrimidin-6-amine (PubChem CID 46345391) has the molecular formula C17H27N7O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 1-methyl-4-morpholin-4-yl-N-(3-morpholin-4-ylpropyl)pyrazolo[5,4-d]pyrimidin-6-amine.

Molecular Properties

Compound Name1-methyl-4-morpholin-4-yl-N-(3-morpholin-4-ylpropyl)pyrazolo[5,4-d]pyrimidin-6-amine
PubChem CID46345391
Molecular FormulaC17H27N7O2
Molecular Weight361.45 g/mol
Exact Mass361.22
IUPAC Name1-methyl-4-morpholin-4-yl-N-(3-morpholin-4-ylpropyl)pyrazolo[5,4-d]pyrimidin-6-amine
SMILESCn1ncc2c(N3CCOCC3)nc(NCCCN3CCOCC3)nc21
InChIInChI=1S/C17H27N7O2/c1-22-15-14(13-19-22)16(24-7-11-26-12-8-24)21-17(20-15)18-3-2-4-23-5-9-25-10-6-23/h13H,2-12H2,1H3,(H,18,20,21)
InChIKeyQXPFUKAUCUIQNO-UHFFFAOYSA-N
XLogP0.33
TPSA80.57 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-morpholin-4-yl-N-(3-morpholin-4-ylpropyl)pyrazolo[5,4-d]pyrimidin-6-amine?
The IUPAC name of 1-methyl-4-morpholin-4-yl-N-(3-morpholin-4-ylpropyl)pyrazolo[5,4-d]pyrimidin-6-amine (CID 46345391) is 1-methyl-4-morpholin-4-yl-N-(3-morpholin-4-ylpropyl)pyrazolo[5,4-d]pyrimidin-6-amine.
What is the SMILES notation for 1-methyl-4-morpholin-4-yl-N-(3-morpholin-4-ylpropyl)pyrazolo[5,4-d]pyrimidin-6-amine?
The canonical SMILES for 1-methyl-4-morpholin-4-yl-N-(3-morpholin-4-ylpropyl)pyrazolo[5,4-d]pyrimidin-6-amine is Cn1ncc2c(N3CCOCC3)nc(NCCCN3CCOCC3)nc21.
What is the InChIKey of 1-methyl-4-morpholin-4-yl-N-(3-morpholin-4-ylpropyl)pyrazolo[5,4-d]pyrimidin-6-amine?
The InChIKey is QXPFUKAUCUIQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N7O2/c1-22-15-14(13-19-22)16(24-7-11-26-12-8-24)21-17(20-15)18-3-2-4-23-5-9-25-10-6-23/h13H,2-12H2,1H3,(H,18,20,21).
What are the key properties of 1-methyl-4-morpholin-4-yl-N-(3-morpholin-4-ylpropyl)pyrazolo[5,4-d]pyrimidin-6-amine?
1-methyl-4-morpholin-4-yl-N-(3-morpholin-4-ylpropyl)pyrazolo[5,4-d]pyrimidin-6-amine has a molecular weight of 361.45 g/mol, XLogP of 0.33, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-morpholin-4-yl-N-(3-morpholin-4-ylpropyl)pyrazolo[5,4-d]pyrimidin-6-amine is sourced from PubChem (CID 46345391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).