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

C13H20N6O — CID 22590085

IUPAC1-methyl-N-(3-morpholin-4-ylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCn1ncc2c(NCCCN3CCOCC3)ncnc21
InChIInChI=1S/C13H20N6O/c1-18-13-11(9-17-18)12(15-10-16-13)14-3-2-4-19-5-7-20-8-6-19/h9-10H,2-8H2,1H3,(H,14,15,16)
InChIKeyPNQQATYKVMXMDR-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.50
Rot. Bonds5

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

1-methyl-N-(3-morpholin-4-ylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 22590085) has the molecular formula C13H20N6O and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-methyl-N-(3-morpholin-4-ylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-methyl-N-(3-morpholin-4-ylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID22590085
Molecular FormulaC13H20N6O
Molecular Weight276.34 g/mol
Exact Mass276.17
IUPAC Name1-methyl-N-(3-morpholin-4-ylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCn1ncc2c(NCCCN3CCOCC3)ncnc21
InChIInChI=1S/C13H20N6O/c1-18-13-11(9-17-18)12(15-10-16-13)14-3-2-4-19-5-7-20-8-6-19/h9-10H,2-8H2,1H3,(H,14,15,16)
InChIKeyPNQQATYKVMXMDR-UHFFFAOYSA-N
XLogP0.50
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 60710985
N-ethyl-N'-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)propane-1,3-diamine
CID 54906576
6-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]hexan-1-ol
CID 103917942
6-ethyl-N-(3-morpholin-4-ylpropyl)thieno[2,3-d]pyrimidin-4-amine
CID 2076558
1-methyl-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 26017163
N-[(2R)-3-ethyl-2-morpholin-4-ylpentyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 25466411
4-[[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]oxan-4-ol
CID 78929377
6-chloro-1-methyl-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 58345954
1-methyl-4-morpholin-4-yl-N-(3-morpholin-4-ylpropyl)pyrazolo[5,4-d]pyrimidin-6-amine
CID 46345391
1-methyl-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 25316013
N-(3-butoxypropyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 110431867
N-cycloheptyl-N'-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine
CID 115306725

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(3-morpholin-4-ylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-methyl-N-(3-morpholin-4-ylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 22590085) is 1-methyl-N-(3-morpholin-4-ylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-methyl-N-(3-morpholin-4-ylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-methyl-N-(3-morpholin-4-ylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine is Cn1ncc2c(NCCCN3CCOCC3)ncnc21.
What is the InChIKey of 1-methyl-N-(3-morpholin-4-ylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is PNQQATYKVMXMDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O/c1-18-13-11(9-17-18)12(15-10-16-13)14-3-2-4-19-5-7-20-8-6-19/h9-10H,2-8H2,1H3,(H,14,15,16).
What are the key properties of 1-methyl-N-(3-morpholin-4-ylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine?
1-methyl-N-(3-morpholin-4-ylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 276.34 g/mol, XLogP of 0.50, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(3-morpholin-4-ylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 22590085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).