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

C18H30N8O — CID 50795405

IUPAC1-methyl-4-(4-methylpiperazin-1-yl)-N-(3-morpholin-4-ylpropyl)pyrazolo[5,4-d]pyrimidin-6-amine
SMILESCN1CCN(c2nc(NCCCN3CCOCC3)nc3c2cnn3C)CC1
InChIInChI=1S/C18H30N8O/c1-23-6-8-26(9-7-23)17-15-14-20-24(2)16(15)21-18(22-17)19-4-3-5-25-10-12-27-13-11-25/h14H,3-13H2,1-2H3,(H,19,21,22)
InChIKeyGGRGWWYJQCFHAO-UHFFFAOYSA-N
MW374.49 g/mol
LogP0.25
Rot. Bonds6

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

1-methyl-4-(4-methylpiperazin-1-yl)-N-(3-morpholin-4-ylpropyl)pyrazolo[5,4-d]pyrimidin-6-amine (PubChem CID 50795405) has the molecular formula C18H30N8O and a molecular weight of 374.49 g/mol. Its IUPAC name is 1-methyl-4-(4-methylpiperazin-1-yl)-N-(3-morpholin-4-ylpropyl)pyrazolo[5,4-d]pyrimidin-6-amine.

Molecular Properties

Compound Name1-methyl-4-(4-methylpiperazin-1-yl)-N-(3-morpholin-4-ylpropyl)pyrazolo[5,4-d]pyrimidin-6-amine
PubChem CID50795405
Molecular FormulaC18H30N8O
Molecular Weight374.49 g/mol
Exact Mass374.25
IUPAC Name1-methyl-4-(4-methylpiperazin-1-yl)-N-(3-morpholin-4-ylpropyl)pyrazolo[5,4-d]pyrimidin-6-amine
SMILESCN1CCN(c2nc(NCCCN3CCOCC3)nc3c2cnn3C)CC1
InChIInChI=1S/C18H30N8O/c1-23-6-8-26(9-7-23)17-15-14-20-24(2)16(15)21-18(22-17)19-4-3-5-25-10-12-27-13-11-25/h14H,3-13H2,1-2H3,(H,19,21,22)
InChIKeyGGRGWWYJQCFHAO-UHFFFAOYSA-N
XLogP0.25
TPSA74.58 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 50.25
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-(4-methylpiperazin-1-yl)-N-(3-morpholin-4-ylpropyl)pyrazolo[5,4-d]pyrimidin-6-amine?
The IUPAC name of 1-methyl-4-(4-methylpiperazin-1-yl)-N-(3-morpholin-4-ylpropyl)pyrazolo[5,4-d]pyrimidin-6-amine (CID 50795405) is 1-methyl-4-(4-methylpiperazin-1-yl)-N-(3-morpholin-4-ylpropyl)pyrazolo[5,4-d]pyrimidin-6-amine.
What is the SMILES notation for 1-methyl-4-(4-methylpiperazin-1-yl)-N-(3-morpholin-4-ylpropyl)pyrazolo[5,4-d]pyrimidin-6-amine?
The canonical SMILES for 1-methyl-4-(4-methylpiperazin-1-yl)-N-(3-morpholin-4-ylpropyl)pyrazolo[5,4-d]pyrimidin-6-amine is CN1CCN(c2nc(NCCCN3CCOCC3)nc3c2cnn3C)CC1.
What is the InChIKey of 1-methyl-4-(4-methylpiperazin-1-yl)-N-(3-morpholin-4-ylpropyl)pyrazolo[5,4-d]pyrimidin-6-amine?
The InChIKey is GGRGWWYJQCFHAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N8O/c1-23-6-8-26(9-7-23)17-15-14-20-24(2)16(15)21-18(22-17)19-4-3-5-25-10-12-27-13-11-25/h14H,3-13H2,1-2H3,(H,19,21,22).
What are the key properties of 1-methyl-4-(4-methylpiperazin-1-yl)-N-(3-morpholin-4-ylpropyl)pyrazolo[5,4-d]pyrimidin-6-amine?
1-methyl-4-(4-methylpiperazin-1-yl)-N-(3-morpholin-4-ylpropyl)pyrazolo[5,4-d]pyrimidin-6-amine has a molecular weight of 374.49 g/mol, XLogP of 0.25, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(4-methylpiperazin-1-yl)-N-(3-morpholin-4-ylpropyl)pyrazolo[5,4-d]pyrimidin-6-amine is sourced from PubChem (CID 50795405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).