(2S)-1-[(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-3-methoxypropan-2-ol

C11H17N5O2 — CID 95729205

IUPAC(2S)-1-[(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-3-methoxypropan-2-ol
SMILESCOC[C@@H](O)CNc1nc(C)nc2c1cnn2C
InChIInChI=1S/C11H17N5O2/c1-7-14-10(12-4-8(17)6-18-3)9-5-13-16(2)11(9)15-7/h5,8,17H,4,6H2,1-3H3,(H,12,14,15)/t8-/m0/s1
InChIKeyLUWGMNMKKFAJOU-QMMMGPOBSA-N
MW251.29 g/mol
LogP0.09
Rot. Bonds5

About (2S)-1-[(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-3-methoxypropan-2-ol

(2S)-1-[(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-3-methoxypropan-2-ol (PubChem CID 95729205) has the molecular formula C11H17N5O2 and a molecular weight of 251.29 g/mol. Its IUPAC name is (2S)-1-[(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-3-methoxypropan-2-ol.

Molecular Properties

Compound Name(2S)-1-[(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-3-methoxypropan-2-ol
PubChem CID95729205
Molecular FormulaC11H17N5O2
Molecular Weight251.29 g/mol
Exact Mass251.14
IUPAC Name(2S)-1-[(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-3-methoxypropan-2-ol
SMILESCOC[C@@H](O)CNc1nc(C)nc2c1cnn2C
InChIInChI=1S/C11H17N5O2/c1-7-14-10(12-4-8(17)6-18-3)9-5-13-16(2)11(9)15-7/h5,8,17H,4,6H2,1-3H3,(H,12,14,15)/t8-/m0/s1
InChIKeyLUWGMNMKKFAJOU-QMMMGPOBSA-N
XLogP0.09
TPSA85.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (2S)-1-[(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-3-methoxypropan-2-ol with MolForge

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Related Compounds

(2R)-1-(4-chloro-3-methylphenoxy)-3-[(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propan-2-ol
CID 95709764
1-methoxy-4-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]butan-2-ol
CID 103875645
(1R)-N'-(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)-N,N-dimethyl-1-(3-methylthiophen-2-yl)ethane-1,2-diamine
CID 95724905
1,6-dimethyl-N-(pyridin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 166185839
ethyl (2R,3S)-3-[(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-2-methylbutanoate
CID 99843622
(2R)-1-[[1-methyl-6-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]butan-2-ol
CID 95717447
1-[(6-amino-2-methylpyrimidin-4-yl)amino]-3-methoxypropan-2-ol
CID 80836350
N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
CID 94519626
N-ethyl-6-[[1-methoxypropan-2-yl(methyl)amino]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 63221252
(2R)-1-[(6-tert-butyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-methylamino]-3-methoxypropan-2-ol
CID 95723879
1-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pentan-2-ol
CID 111118297
1-[4-[[(2S)-2-hydroxy-3-methoxypropyl]amino]-2-methyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl]ethanone
CID 95144045

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-3-methoxypropan-2-ol?
The IUPAC name of (2S)-1-[(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-3-methoxypropan-2-ol (CID 95729205) is (2S)-1-[(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-3-methoxypropan-2-ol.
What is the SMILES notation for (2S)-1-[(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-3-methoxypropan-2-ol?
The canonical SMILES for (2S)-1-[(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-3-methoxypropan-2-ol is COC[C@@H](O)CNc1nc(C)nc2c1cnn2C.
What is the InChIKey of (2S)-1-[(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-3-methoxypropan-2-ol?
The InChIKey is LUWGMNMKKFAJOU-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H17N5O2/c1-7-14-10(12-4-8(17)6-18-3)9-5-13-16(2)11(9)15-7/h5,8,17H,4,6H2,1-3H3,(H,12,14,15)/t8-/m0/s1.
What are the key properties of (2S)-1-[(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-3-methoxypropan-2-ol?
(2S)-1-[(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-3-methoxypropan-2-ol has a molecular weight of 251.29 g/mol, XLogP of 0.09, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-3-methoxypropan-2-ol is sourced from PubChem (CID 95729205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).