(2R)-1-[[1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]propan-2-ol

C15H17N5O — CID 7205599

IUPAC(2R)-1-[[1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]propan-2-ol
SMILESCc1ccc(-n2ncc3c(NC[C@@H](C)O)ncnc32)cc1
InChIInChI=1S/C15H17N5O/c1-10-3-5-12(6-4-10)20-15-13(8-19-20)14(17-9-18-15)16-7-11(2)21/h3-6,8-9,11,21H,7H2,1-2H3,(H,16,17,18)/t11-/m1/s1
InChIKeyBQOCGMCNQAXYME-LLVKDONJSA-N
MW283.34 g/mol
LogP1.92
Rot. Bonds4

About (2R)-1-[[1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]propan-2-ol

(2R)-1-[[1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]propan-2-ol (PubChem CID 7205599) has the molecular formula C15H17N5O and a molecular weight of 283.34 g/mol. Its IUPAC name is (2R)-1-[[1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[[1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]propan-2-ol
PubChem CID7205599
Molecular FormulaC15H17N5O
Molecular Weight283.34 g/mol
Exact Mass283.14
IUPAC Name(2R)-1-[[1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]propan-2-ol
SMILESCc1ccc(-n2ncc3c(NC[C@@H](C)O)ncnc32)cc1
InChIInChI=1S/C15H17N5O/c1-10-3-5-12(6-4-10)20-15-13(8-19-20)14(17-9-18-15)16-7-11(2)21/h3-6,8-9,11,21H,7H2,1-2H3,(H,16,17,18)/t11-/m1/s1
InChIKeyBQOCGMCNQAXYME-LLVKDONJSA-N
XLogP1.92
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2R)-1-[[1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]propan-2-ol with MolForge

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Related Compounds

(2S)-1-[[1-(3-chloro-4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]propan-2-ol
CID 41476156
1-(4-fluorophenyl)-N-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 7205324
[1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine
CID 46299479
1-(4-fluorophenyl)-N-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 7205340
2,2,4-trimethyl-1-[(1-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pentan-3-ol
CID 109377371
1-(4-methylphenyl)-N-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 17017675
1-(4-chlorophenyl)-N-(2,2-dimethoxyethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 4100004
propan-2-yl 2-methyl-3-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propanoate
CID 133325485
1-cyclopentyl-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethanol
CID 133306905
4-[4-(propan-2-ylamino)pyrazolo[3,4-d]pyrimidin-1-yl]phenol
CID 59447546
1-(4-bromophenyl)-N-ethylpyrazolo[3,4-d]pyrimidin-4-amine
CID 63022262
N-(2,2-dimethylpropyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 61168228

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[[1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]propan-2-ol?
The IUPAC name of (2R)-1-[[1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]propan-2-ol (CID 7205599) is (2R)-1-[[1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]propan-2-ol.
What is the SMILES notation for (2R)-1-[[1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]propan-2-ol?
The canonical SMILES for (2R)-1-[[1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]propan-2-ol is Cc1ccc(-n2ncc3c(NC[C@@H](C)O)ncnc32)cc1.
What is the InChIKey of (2R)-1-[[1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]propan-2-ol?
The InChIKey is BQOCGMCNQAXYME-LLVKDONJSA-N. The full InChI is InChI=1S/C15H17N5O/c1-10-3-5-12(6-4-10)20-15-13(8-19-20)14(17-9-18-15)16-7-11(2)21/h3-6,8-9,11,21H,7H2,1-2H3,(H,16,17,18)/t11-/m1/s1.
What are the key properties of (2R)-1-[[1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]propan-2-ol?
(2R)-1-[[1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]propan-2-ol has a molecular weight of 283.34 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[[1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]propan-2-ol is sourced from PubChem (CID 7205599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).