(3S)-3-[methyl(1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]-3-phenylpropan-1-ol

C15H17N5O — CID 97223911

IUPAC(3S)-3-[methyl(1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]-3-phenylpropan-1-ol
SMILESCN(c1ncnc2[nH]ncc12)[C@@H](CCO)c1ccccc1
InChIInChI=1S/C15H17N5O/c1-20(13(7-8-21)11-5-3-2-4-6-11)15-12-9-18-19-14(12)16-10-17-15/h2-6,9-10,13,21H,7-8H2,1H3,(H,16,17,18,19)/t13-/m0/s1
InChIKeyJHTFIWPMVFPAGX-ZDUSSCGKSA-N
MW283.33 g/mol
LogP1.91
Rot. Bonds5

About (3S)-3-[methyl(1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]-3-phenylpropan-1-ol

(3S)-3-[methyl(1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]-3-phenylpropan-1-ol (PubChem CID 97223911) has the molecular formula C15H17N5O and a molecular weight of 283.33 g/mol. Its IUPAC name is (3S)-3-[methyl(1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]-3-phenylpropan-1-ol.

Molecular Properties

Compound Name(3S)-3-[methyl(1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]-3-phenylpropan-1-ol
PubChem CID97223911
Molecular FormulaC15H17N5O
Molecular Weight283.33 g/mol
Exact Mass283.14
IUPAC Name(3S)-3-[methyl(1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]-3-phenylpropan-1-ol
SMILESCN(c1ncnc2[nH]ncc12)[C@@H](CCO)c1ccccc1
InChIInChI=1S/C15H17N5O/c1-20(13(7-8-21)11-5-3-2-4-6-11)15-12-9-18-19-14(12)16-10-17-15/h2-6,9-10,13,21H,7-8H2,1H3,(H,16,17,18,19)/t13-/m0/s1
InChIKeyJHTFIWPMVFPAGX-ZDUSSCGKSA-N
XLogP1.91
TPSA77.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-[methyl(1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]-3-phenylpropan-1-ol?
The IUPAC name of (3S)-3-[methyl(1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]-3-phenylpropan-1-ol (CID 97223911) is (3S)-3-[methyl(1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]-3-phenylpropan-1-ol.
What is the SMILES notation for (3S)-3-[methyl(1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]-3-phenylpropan-1-ol?
The canonical SMILES for (3S)-3-[methyl(1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]-3-phenylpropan-1-ol is CN(c1ncnc2[nH]ncc12)[C@@H](CCO)c1ccccc1.
What is the InChIKey of (3S)-3-[methyl(1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]-3-phenylpropan-1-ol?
The InChIKey is JHTFIWPMVFPAGX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H17N5O/c1-20(13(7-8-21)11-5-3-2-4-6-11)15-12-9-18-19-14(12)16-10-17-15/h2-6,9-10,13,21H,7-8H2,1H3,(H,16,17,18,19)/t13-/m0/s1.
What are the key properties of (3S)-3-[methyl(1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]-3-phenylpropan-1-ol?
(3S)-3-[methyl(1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]-3-phenylpropan-1-ol has a molecular weight of 283.33 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[methyl(1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]-3-phenylpropan-1-ol is sourced from PubChem (CID 97223911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).