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

C12H18N6O — CID 30858850

IUPACN-(3-morpholin-4-ylpropyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESc1nc(NCCCN2CCOCC2)c2cn[nH]c2n1
InChIInChI=1S/C12H18N6O/c1(3-18-4-6-19-7-5-18)2-13-11-10-8-16-17-12(10)15-9-14-11/h8-9H,1-7H2,(H2,13,14,15,16,17)
InChIKeyORMSXBSRGQEJQZ-UHFFFAOYSA-N
MW262.32 g/mol
LogP0.49
Rot. Bonds5

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

N-(3-morpholin-4-ylpropyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 30858850) has the molecular formula C12H18N6O and a molecular weight of 262.32 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID30858850
Molecular FormulaC12H18N6O
Molecular Weight262.32 g/mol
Exact Mass262.15
IUPAC NameN-(3-morpholin-4-ylpropyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESc1nc(NCCCN2CCOCC2)c2cn[nH]c2n1
InChIInChI=1S/C12H18N6O/c1(3-18-4-6-19-7-5-18)2-13-11-10-8-16-17-12(10)15-9-14-11/h8-9H,1-7H2,(H2,13,14,15,16,17)
InChIKeyORMSXBSRGQEJQZ-UHFFFAOYSA-N
XLogP0.49
TPSA78.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 N-(3-morpholin-4-ylpropyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine (CID 30858850) is N-(3-morpholin-4-ylpropyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine is c1nc(NCCCN2CCOCC2)c2cn[nH]c2n1.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is ORMSXBSRGQEJQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O/c1(3-18-4-6-19-7-5-18)2-13-11-10-8-16-17-12(10)15-9-14-11/h8-9H,1-7H2,(H2,13,14,15,16,17).
What are the key properties of N-(3-morpholin-4-ylpropyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
N-(3-morpholin-4-ylpropyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 262.32 g/mol, XLogP of 0.49, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 30858850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).