1-butyl-N-(2-methyl-2-morpholin-4-ylpropyl)-3-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine

C21H36N6O — CID 157013344

IUPAC1-butyl-N-(2-methyl-2-morpholin-4-ylpropyl)-3-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCCCn1nc(CC(C)C)c2c(NCC(C)(C)N3CCOCC3)ncnc21
InChIInChI=1S/C21H36N6O/c1-6-7-8-27-20-18(17(25-27)13-16(2)3)19(23-15-24-20)22-14-21(4,5)26-9-11-28-12-10-26/h15-16H,6-14H2,1-5H3,(H,22,23,24)
InChIKeyQAIVHQLUYJRLDE-UHFFFAOYSA-N
MW388.56 g/mol
LogP3.35
Rot. Bonds9

About 1-butyl-N-(2-methyl-2-morpholin-4-ylpropyl)-3-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine

1-butyl-N-(2-methyl-2-morpholin-4-ylpropyl)-3-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 157013344) has the molecular formula C21H36N6O and a molecular weight of 388.56 g/mol. Its IUPAC name is 1-butyl-N-(2-methyl-2-morpholin-4-ylpropyl)-3-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-butyl-N-(2-methyl-2-morpholin-4-ylpropyl)-3-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID157013344
Molecular FormulaC21H36N6O
Molecular Weight388.56 g/mol
Exact Mass388.30
IUPAC Name1-butyl-N-(2-methyl-2-morpholin-4-ylpropyl)-3-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCCCn1nc(CC(C)C)c2c(NCC(C)(C)N3CCOCC3)ncnc21
InChIInChI=1S/C21H36N6O/c1-6-7-8-27-20-18(17(25-27)13-16(2)3)19(23-15-24-20)22-14-21(4,5)26-9-11-28-12-10-26/h15-16H,6-14H2,1-5H3,(H,22,23,24)
InChIKeyQAIVHQLUYJRLDE-UHFFFAOYSA-N
XLogP3.35
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.56
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-butyl-N-(2-methyl-2-morpholin-4-ylpropyl)-3-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine with MolForge

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Related Compounds

1-[2-[[1-butyl-3-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethyl]-3-methylimidazolidin-2-one
CID 157013829
1-butyl-4-(4,4-difluoropiperidin-1-yl)-3-(2-methylpropyl)pyrazolo[5,4-d]pyrimidine
CID 162630465
2-[[[1-butyl-3-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]methyl]-4-methyl-1H-pyrimidin-6-one
CID 157017888
1-[1-butyl-3-(2-methylpropyl)pyrazolo[5,4-d]pyrimidin-4-yl]azetidin-3-ol
CID 162630698
1-butyl-3-(2-methylpropyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 162633743
1-[1-butyl-3-(2-methylpropyl)pyrazolo[5,4-d]pyrimidin-4-yl]-N,N-dimethylpiperidin-3-amine
CID 162625527
1-butyl-4-[3-(methoxymethyl)pyrrolidin-1-yl]-3-(2-methylpropyl)pyrazolo[5,4-d]pyrimidine
CID 157012782
(3R,4R)-1-[1-butyl-3-(2-methylpropyl)pyrazolo[5,4-d]pyrimidin-4-yl]-4-(hydroxymethyl)piperidin-3-ol
CID 164696494
5-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)pyrimidin-2-amine
CID 72935483
2-methyl-N-[1-(2-methylpyrazol-3-yl)ethyl]-2-morpholin-4-ylpropan-1-amine
CID 106756920
4-(2,4-dimethylpentan-2-yl)morpholine
CID 67965122
5-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)hexan-2-amine
CID 43202156

Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-(2-methyl-2-morpholin-4-ylpropyl)-3-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-butyl-N-(2-methyl-2-morpholin-4-ylpropyl)-3-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 157013344) is 1-butyl-N-(2-methyl-2-morpholin-4-ylpropyl)-3-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-butyl-N-(2-methyl-2-morpholin-4-ylpropyl)-3-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-butyl-N-(2-methyl-2-morpholin-4-ylpropyl)-3-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine is CCCCn1nc(CC(C)C)c2c(NCC(C)(C)N3CCOCC3)ncnc21.
What is the InChIKey of 1-butyl-N-(2-methyl-2-morpholin-4-ylpropyl)-3-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is QAIVHQLUYJRLDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N6O/c1-6-7-8-27-20-18(17(25-27)13-16(2)3)19(23-15-24-20)22-14-21(4,5)26-9-11-28-12-10-26/h15-16H,6-14H2,1-5H3,(H,22,23,24).
What are the key properties of 1-butyl-N-(2-methyl-2-morpholin-4-ylpropyl)-3-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine?
1-butyl-N-(2-methyl-2-morpholin-4-ylpropyl)-3-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 388.56 g/mol, XLogP of 3.35, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-(2-methyl-2-morpholin-4-ylpropyl)-3-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 157013344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).