(2R)-1-[[1-methyl-6-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]butan-2-ol

C18H23N5O — CID 95717447

IUPAC(2R)-1-[[1-methyl-6-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]butan-2-ol
SMILESCC[C@@H](O)CNc1nc(CCc2ccccc2)nc2c1cnn2C
InChIInChI=1S/C18H23N5O/c1-3-14(24)11-19-17-15-12-20-23(2)18(15)22-16(21-17)10-9-13-7-5-4-6-8-13/h4-8,12,14,24H,3,9-11H2,1-2H3,(H,19,21,22)/t14-/m1/s1
InChIKeyCDBANBGLZMSBSZ-CQSZACIVSA-N
MW325.42 g/mol
LogP2.33
Rot. Bonds7

About (2R)-1-[[1-methyl-6-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]butan-2-ol

(2R)-1-[[1-methyl-6-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]butan-2-ol (PubChem CID 95717447) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is (2R)-1-[[1-methyl-6-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]butan-2-ol.

Molecular Properties

Compound Name(2R)-1-[[1-methyl-6-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]butan-2-ol
PubChem CID95717447
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name(2R)-1-[[1-methyl-6-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]butan-2-ol
SMILESCC[C@@H](O)CNc1nc(CCc2ccccc2)nc2c1cnn2C
InChIInChI=1S/C18H23N5O/c1-3-14(24)11-19-17-15-12-20-23(2)18(15)22-16(21-17)10-9-13-7-5-4-6-8-13/h4-8,12,14,24H,3,9-11H2,1-2H3,(H,19,21,22)/t14-/m1/s1
InChIKeyCDBANBGLZMSBSZ-CQSZACIVSA-N
XLogP2.33
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2R)-1-[[1-methyl-6-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]butan-2-ol with MolForge

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Related Compounds

(2S)-3-methyl-2-[[1-methyl-6-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]butanamide
CID 56913030
(2S)-2-[[1-methyl-6-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]propanamide
CID 56901945
1-methyl-4-(4-methylpiperazin-1-yl)-6-(2-phenylethyl)pyrazolo[5,4-d]pyrimidine
CID 56912583
2-[[(1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]-3H-quinazolin-4-one
CID 135990818
3-[[4-(ethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]methylsulfanyl]propane-1,2-diol
CID 79670267
N,N,N'-trimethyl-N'-[1-methyl-6-(2-phenylethyl)pyrazolo[5,4-d]pyrimidin-4-yl]ethane-1,2-diamine
CID 56897861
(2S)-1-[(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-3-methoxypropan-2-ol
CID 95729205
N-(furan-2-ylmethyl)-1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-amine
CID 56918778
N-ethyl-1-methyl-6-(pyridin-2-ylsulfanylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 63221339
2-[[4-(ethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]methyl-methylamino]propan-1-ol
CID 104554373
[1-methyl-4-(methylamino)pyrazolo[3,4-d]pyrimidin-6-yl]methanol
CID 63221291
1-methyl-N-(4-phenylbutyl)-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 70732300

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[[1-methyl-6-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]butan-2-ol?
The IUPAC name of (2R)-1-[[1-methyl-6-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]butan-2-ol (CID 95717447) is (2R)-1-[[1-methyl-6-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]butan-2-ol.
What is the SMILES notation for (2R)-1-[[1-methyl-6-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]butan-2-ol?
The canonical SMILES for (2R)-1-[[1-methyl-6-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]butan-2-ol is CC[C@@H](O)CNc1nc(CCc2ccccc2)nc2c1cnn2C.
What is the InChIKey of (2R)-1-[[1-methyl-6-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]butan-2-ol?
The InChIKey is CDBANBGLZMSBSZ-CQSZACIVSA-N. The full InChI is InChI=1S/C18H23N5O/c1-3-14(24)11-19-17-15-12-20-23(2)18(15)22-16(21-17)10-9-13-7-5-4-6-8-13/h4-8,12,14,24H,3,9-11H2,1-2H3,(H,19,21,22)/t14-/m1/s1.
What are the key properties of (2R)-1-[[1-methyl-6-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]butan-2-ol?
(2R)-1-[[1-methyl-6-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]butan-2-ol has a molecular weight of 325.42 g/mol, XLogP of 2.33, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[[1-methyl-6-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]butan-2-ol is sourced from PubChem (CID 95717447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).