(2S)-2-[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-2-phenylethanol

C16H18N4O — CID 56885252

IUPAC(2S)-2-[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-2-phenylethanol
SMILESCc1cc(N[C@H](CO)c2ccccc2)n2nc(C)cc2n1
InChIInChI=1S/C16H18N4O/c1-11-8-16(20-15(17-11)9-12(2)19-20)18-14(10-21)13-6-4-3-5-7-13/h3-9,14,18,21H,10H2,1-2H3/t14-/m1/s1
InChIKeyWWNDFYKDWUYOQE-CQSZACIVSA-N
MW282.35 g/mol
LogP2.49
Rot. Bonds4

About (2S)-2-[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-2-phenylethanol

(2S)-2-[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-2-phenylethanol (PubChem CID 56885252) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is (2S)-2-[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-2-phenylethanol.

Molecular Properties

Compound Name(2S)-2-[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-2-phenylethanol
PubChem CID56885252
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name(2S)-2-[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-2-phenylethanol
SMILESCc1cc(N[C@H](CO)c2ccccc2)n2nc(C)cc2n1
InChIInChI=1S/C16H18N4O/c1-11-8-16(20-15(17-11)9-12(2)19-20)18-14(10-21)13-6-4-3-5-7-13/h3-9,14,18,21H,10H2,1-2H3/t14-/m1/s1
InChIKeyWWNDFYKDWUYOQE-CQSZACIVSA-N
XLogP2.49
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-2-phenylethanol?
The IUPAC name of (2S)-2-[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-2-phenylethanol (CID 56885252) is (2S)-2-[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-2-phenylethanol.
What is the SMILES notation for (2S)-2-[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-2-phenylethanol?
The canonical SMILES for (2S)-2-[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-2-phenylethanol is Cc1cc(N[C@H](CO)c2ccccc2)n2nc(C)cc2n1.
What is the InChIKey of (2S)-2-[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-2-phenylethanol?
The InChIKey is WWNDFYKDWUYOQE-CQSZACIVSA-N. The full InChI is InChI=1S/C16H18N4O/c1-11-8-16(20-15(17-11)9-12(2)19-20)18-14(10-21)13-6-4-3-5-7-13/h3-9,14,18,21H,10H2,1-2H3/t14-/m1/s1.
What are the key properties of (2S)-2-[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-2-phenylethanol?
(2S)-2-[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-2-phenylethanol has a molecular weight of 282.35 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-2-phenylethanol is sourced from PubChem (CID 56885252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).