(2S)-2-phenyl-2-[(6-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethanol

C19H17N5O — CID 162663220

IUPAC(2S)-2-phenyl-2-[(6-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethanol
SMILESOC[C@@H](Nc1ncnc2[nH]c(-c3ccncc3)cc12)c1ccccc1
InChIInChI=1S/C19H17N5O/c25-11-17(13-4-2-1-3-5-13)24-19-15-10-16(14-6-8-20-9-7-14)23-18(15)21-12-22-19/h1-10,12,17,25H,11H2,(H2,21,22,23,24)/t17-/m1/s1
InChIKeyNVVPROZYIDMHOY-QGZVFWFLSA-N
MW331.38 g/mol
LogP3.17
Rot. Bonds5

About (2S)-2-phenyl-2-[(6-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethanol

(2S)-2-phenyl-2-[(6-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethanol (PubChem CID 162663220) has the molecular formula C19H17N5O and a molecular weight of 331.38 g/mol. Its IUPAC name is (2S)-2-phenyl-2-[(6-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethanol.

Molecular Properties

Compound Name(2S)-2-phenyl-2-[(6-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethanol
PubChem CID162663220
Molecular FormulaC19H17N5O
Molecular Weight331.38 g/mol
Exact Mass331.14
IUPAC Name(2S)-2-phenyl-2-[(6-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethanol
SMILESOC[C@@H](Nc1ncnc2[nH]c(-c3ccncc3)cc12)c1ccccc1
InChIInChI=1S/C19H17N5O/c25-11-17(13-4-2-1-3-5-13)24-19-15-10-16(14-6-8-20-9-7-14)23-18(15)21-12-22-19/h1-10,12,17,25H,11H2,(H2,21,22,23,24)/t17-/m1/s1
InChIKeyNVVPROZYIDMHOY-QGZVFWFLSA-N
XLogP3.17
TPSA86.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-phenyl-2-[(6-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethanol?
The IUPAC name of (2S)-2-phenyl-2-[(6-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethanol (CID 162663220) is (2S)-2-phenyl-2-[(6-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethanol.
What is the SMILES notation for (2S)-2-phenyl-2-[(6-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethanol?
The canonical SMILES for (2S)-2-phenyl-2-[(6-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethanol is OC[C@@H](Nc1ncnc2[nH]c(-c3ccncc3)cc12)c1ccccc1.
What is the InChIKey of (2S)-2-phenyl-2-[(6-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethanol?
The InChIKey is NVVPROZYIDMHOY-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H17N5O/c25-11-17(13-4-2-1-3-5-13)24-19-15-10-16(14-6-8-20-9-7-14)23-18(15)21-12-22-19/h1-10,12,17,25H,11H2,(H2,21,22,23,24)/t17-/m1/s1.
What are the key properties of (2S)-2-phenyl-2-[(6-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethanol?
(2S)-2-phenyl-2-[(6-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethanol has a molecular weight of 331.38 g/mol, XLogP of 3.17, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-phenyl-2-[(6-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethanol is sourced from PubChem (CID 162663220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).