N-(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine;dihydrochloride

C15H24Cl2N6O — CID 154900352

IUPACN-(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine;dihydrochloride
SMILESCc1nc(NC2COC3(CCNCC3)C2)c2cnn(C)c2n1.Cl.Cl
InChIInChI=1S/C15H22N6O.2ClH/c1-10-18-13(12-8-17-21(2)14(12)19-10)20-11-7-15(22-9-11)3-5-16-6-4-15;;/h8,11,16H,3-7,9H2,1-2H3,(H,18,19,20);2*1H
InChIKeyIYDPQQYZVZCITA-UHFFFAOYSA-N
MW375.30 g/mol
LogP1.84
Rot. Bonds2

About N-(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine;dihydrochloride

N-(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine;dihydrochloride (PubChem CID 154900352) has the molecular formula C15H24Cl2N6O and a molecular weight of 375.30 g/mol. Its IUPAC name is N-(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine;dihydrochloride.

Molecular Properties

Compound NameN-(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine;dihydrochloride
PubChem CID154900352
Molecular FormulaC15H24Cl2N6O
Molecular Weight375.30 g/mol
Exact Mass374.14
IUPAC NameN-(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine;dihydrochloride
SMILESCc1nc(NC2COC3(CCNCC3)C2)c2cnn(C)c2n1.Cl.Cl
InChIInChI=1S/C15H22N6O.2ClH/c1-10-18-13(12-8-17-21(2)14(12)19-10)20-11-7-15(22-9-11)3-5-16-6-4-15;;/h8,11,16H,3-7,9H2,1-2H3,(H,18,19,20);2*1H
InChIKeyIYDPQQYZVZCITA-UHFFFAOYSA-N
XLogP1.84
TPSA76.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.30
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1,6-dimethyl-N-[(3S)-1-oxaspiro[4.5]decan-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 97197203
1,6-dimethyl-N-(1-oxaspiro[4.5]decan-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 72882858
(3S)-N-(2-methylthieno[2,3-d]pyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 97192622
(3S)-N-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 97193871
(3S,7S,8aS)-N-(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-amine
CID 155493366
1,6-dimethyl-4-piperidin-4-ylpyrazolo[3,4-d]pyrimidine
CID 96599519
(3R)-3-[(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-1-propan-2-ylpyrrolidin-2-one
CID 99816751
6-chloro-N-cyclopropyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 82460053
1-(2,6-difluorophenyl)-4-[(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pyrrolidin-2-one
CID 126772380
[2-(1-oxa-8-azaspiro[4.5]decan-3-ylamino)-3-pyridinyl]-pyrrolidin-1-ylmethanone;dihydrochloride
CID 154916328
N-(3,3-dichloroprop-2-enyl)-1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
CID 138019388
2-[4-[(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]cyclohexyl]-6-(1,2,4-triazol-1-yl)pyridazin-3-one
CID 126937272

Frequently Asked Questions

What is the IUPAC name of N-(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine;dihydrochloride?
The IUPAC name of N-(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine;dihydrochloride (CID 154900352) is N-(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine;dihydrochloride.
What is the SMILES notation for N-(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine;dihydrochloride?
The canonical SMILES for N-(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine;dihydrochloride is Cc1nc(NC2COC3(CCNCC3)C2)c2cnn(C)c2n1.Cl.Cl.
What is the InChIKey of N-(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine;dihydrochloride?
The InChIKey is IYDPQQYZVZCITA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O.2ClH/c1-10-18-13(12-8-17-21(2)14(12)19-10)20-11-7-15(22-9-11)3-5-16-6-4-15;;/h8,11,16H,3-7,9H2,1-2H3,(H,18,19,20);2*1H.
What are the key properties of N-(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine;dihydrochloride?
N-(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine;dihydrochloride has a molecular weight of 375.30 g/mol, XLogP of 1.84, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine;dihydrochloride is sourced from PubChem (CID 154900352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).