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

C14H22N6O2 — CID 50795256

IUPACN-(3-methoxypropyl)-1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-amine
SMILESCOCCCNc1nc(N2CCOCC2)c2cnn(C)c2n1
InChIInChI=1S/C14H22N6O2/c1-19-12-11(10-16-19)13(20-5-8-22-9-6-20)18-14(17-12)15-4-3-7-21-2/h10H,3-9H2,1-2H3,(H,15,17,18)
InChIKeyLSGMABNHWDNTIJ-UHFFFAOYSA-N
MW306.37 g/mol
LogP0.65
Rot. Bonds6

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

N-(3-methoxypropyl)-1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-amine (PubChem CID 50795256) has the molecular formula C14H22N6O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is N-(3-methoxypropyl)-1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-amine.

Molecular Properties

Compound NameN-(3-methoxypropyl)-1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-amine
PubChem CID50795256
Molecular FormulaC14H22N6O2
Molecular Weight306.37 g/mol
Exact Mass306.18
IUPAC NameN-(3-methoxypropyl)-1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-amine
SMILESCOCCCNc1nc(N2CCOCC2)c2cnn(C)c2n1
InChIInChI=1S/C14H22N6O2/c1-19-12-11(10-16-19)13(20-5-8-22-9-6-20)18-14(17-12)15-4-3-7-21-2/h10H,3-9H2,1-2H3,(H,15,17,18)
InChIKeyLSGMABNHWDNTIJ-UHFFFAOYSA-N
XLogP0.65
TPSA77.33 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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-methoxypropyl)-1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-amine?
The IUPAC name of N-(3-methoxypropyl)-1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-amine (CID 50795256) is N-(3-methoxypropyl)-1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-amine.
What is the SMILES notation for N-(3-methoxypropyl)-1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-amine?
The canonical SMILES for N-(3-methoxypropyl)-1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-amine is COCCCNc1nc(N2CCOCC2)c2cnn(C)c2n1.
What is the InChIKey of N-(3-methoxypropyl)-1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-amine?
The InChIKey is LSGMABNHWDNTIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6O2/c1-19-12-11(10-16-19)13(20-5-8-22-9-6-20)18-14(17-12)15-4-3-7-21-2/h10H,3-9H2,1-2H3,(H,15,17,18).
What are the key properties of N-(3-methoxypropyl)-1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-amine?
N-(3-methoxypropyl)-1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-amine has a molecular weight of 306.37 g/mol, XLogP of 0.65, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-amine is sourced from PubChem (CID 50795256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).