(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

C15H22N6O — CID 155493366

IUPAC(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
SMILESCc1nc(N[C@H]2C[C@H]3CO[C@@H](C)CN3C2)c2cnn(C)c2n1
InChIInChI=1S/C15H22N6O/c1-9-6-21-7-11(4-12(21)8-22-9)19-14-13-5-16-20(3)15(13)18-10(2)17-14/h5,9,11-12H,4,6-8H2,1-3H3,(H,17,18,19)/t9-,11-,12-/m0/s1
InChIKeyDQAWRXDUXPTZAO-DLOVCJGASA-N
MW302.38 g/mol
LogP0.95
Rot. Bonds2

About (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

(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 (PubChem CID 155493366) has the molecular formula C15H22N6O and a molecular weight of 302.38 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID155493366
Molecular FormulaC15H22N6O
Molecular Weight302.38 g/mol
Exact Mass302.19
IUPAC Name(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
SMILESCc1nc(N[C@H]2C[C@H]3CO[C@@H](C)CN3C2)c2cnn(C)c2n1
InChIInChI=1S/C15H22N6O/c1-9-6-21-7-11(4-12(21)8-22-9)19-14-13-5-16-20(3)15(13)18-10(2)17-14/h5,9,11-12H,4,6-8H2,1-3H3,(H,17,18,19)/t9-,11-,12-/m0/s1
InChIKeyDQAWRXDUXPTZAO-DLOVCJGASA-N
XLogP0.95
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (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 with MolForge

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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
N-(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine;dihydrochloride
CID 154900352
1-(2,6-difluorophenyl)-4-[(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pyrrolidin-2-one
CID 126772380
(3R,7R,8aS)-3-methyl-N-(7-methylthieno[3,2-d]pyrimidin-4-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-amine
CID 155504791
(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
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
[(2S,4R)-1-methyl-4-[(1-methyl-6-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pyrrolidin-2-yl]methanol
CID 56912897
(3R,7S,8aS)-N-(4-ethoxypyrimidin-2-yl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-amine
CID 154822618
N-(3,3-dichloroprop-2-enyl)-1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
CID 138019388
(1S,5R)-7-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decane
CID 165425162

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is Cc1nc(N[C@H]2C[C@H]3CO[C@@H](C)CN3C2)c2cnn(C)c2n1.
What is the InChIKey of (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?
The InChIKey is DQAWRXDUXPTZAO-DLOVCJGASA-N. The full InChI is InChI=1S/C15H22N6O/c1-9-6-21-7-11(4-12(21)8-22-9)19-14-13-5-16-20(3)15(13)18-10(2)17-14/h5,9,11-12H,4,6-8H2,1-3H3,(H,17,18,19)/t9-,11-,12-/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 302.38 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 155493366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).