(2S)-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]butan-1-ol

C15H17N5O — CID 866509

IUPAC(2S)-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]butan-1-ol
SMILESCC[C@@H](CO)Nc1ncnc2c1cnn2-c1ccccc1
InChIInChI=1S/C15H17N5O/c1-2-11(9-21)19-14-13-8-18-20(15(13)17-10-16-14)12-6-4-3-5-7-12/h3-8,10-11,21H,2,9H2,1H3,(H,16,17,19)/t11-/m0/s1
InChIKeyMMLCKZVSQDDWRS-NSHDSACASA-N
MW283.33 g/mol
LogP2.00
Rot. Bonds5

About (2S)-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]butan-1-ol

(2S)-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]butan-1-ol (PubChem CID 866509) has the molecular formula C15H17N5O and a molecular weight of 283.33 g/mol. Its IUPAC name is (2S)-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]butan-1-ol.

Molecular Properties

Compound Name(2S)-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]butan-1-ol
PubChem CID866509
Molecular FormulaC15H17N5O
Molecular Weight283.33 g/mol
Exact Mass283.14
IUPAC Name(2S)-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]butan-1-ol
SMILESCC[C@@H](CO)Nc1ncnc2c1cnn2-c1ccccc1
InChIInChI=1S/C15H17N5O/c1-2-11(9-21)19-14-13-8-18-20(15(13)17-10-16-14)12-6-4-3-5-7-12/h3-8,10-11,21H,2,9H2,1H3,(H,16,17,19)/t11-/m0/s1
InChIKeyMMLCKZVSQDDWRS-NSHDSACASA-N
XLogP2.00
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2S)-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]butan-1-ol with MolForge

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Related Compounds

(2R)-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]butan-1-ol
CID 866510
2-N-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)propane-1,2-diamine
CID 63730689
1-phenyl-N-[(2S)-1-phenylpropan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 57196440
3-N-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)butane-1,3-diamine
CID 83179391
(2S)-4-methyl-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pentanoic acid
CID 122050233
N-methyl-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]acetamide
CID 43215057
1-phenyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 133331840
N-(2,2-dimethylpropyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 61168228
1-(4-bromophenyl)-N-butan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 110432137
1-[[1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]propan-1-ol
CID 17017238
4-[4-(propan-2-ylamino)pyrazolo[3,4-d]pyrimidin-1-yl]phenol
CID 59447546
2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]acetamide
CID 43235572

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]butan-1-ol?
The IUPAC name of (2S)-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]butan-1-ol (CID 866509) is (2S)-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]butan-1-ol.
What is the SMILES notation for (2S)-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]butan-1-ol?
The canonical SMILES for (2S)-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]butan-1-ol is CC[C@@H](CO)Nc1ncnc2c1cnn2-c1ccccc1.
What is the InChIKey of (2S)-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]butan-1-ol?
The InChIKey is MMLCKZVSQDDWRS-NSHDSACASA-N. The full InChI is InChI=1S/C15H17N5O/c1-2-11(9-21)19-14-13-8-18-20(15(13)17-10-16-14)12-6-4-3-5-7-12/h3-8,10-11,21H,2,9H2,1H3,(H,16,17,19)/t11-/m0/s1.
What are the key properties of (2S)-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]butan-1-ol?
(2S)-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]butan-1-ol has a molecular weight of 283.33 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]butan-1-ol is sourced from PubChem (CID 866509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).