(2S)-3-phenyl-2-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)propan-1-ol

C15H16N4O — CID 95337096

IUPAC(2S)-3-phenyl-2-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)propan-1-ol
SMILESOC[C@H](Cc1ccccc1)Nc1ncnc2[nH]ccc12
InChIInChI=1S/C15H16N4O/c20-9-12(8-11-4-2-1-3-5-11)19-15-13-6-7-16-14(13)17-10-18-15/h1-7,10,12,20H,8-9H2,(H2,16,17,18,19)/t12-/m0/s1
InChIKeyUFJRTIGEGHHQOH-LBPRGKRZSA-N
MW268.32 g/mol
LogP1.97
Rot. Bonds5

About (2S)-3-phenyl-2-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)propan-1-ol

(2S)-3-phenyl-2-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)propan-1-ol (PubChem CID 95337096) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is (2S)-3-phenyl-2-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)propan-1-ol.

Molecular Properties

Compound Name(2S)-3-phenyl-2-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)propan-1-ol
PubChem CID95337096
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name(2S)-3-phenyl-2-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)propan-1-ol
SMILESOC[C@H](Cc1ccccc1)Nc1ncnc2[nH]ccc12
InChIInChI=1S/C15H16N4O/c20-9-12(8-11-4-2-1-3-5-11)19-15-13-6-7-16-14(13)17-10-18-15/h1-7,10,12,20H,8-9H2,(H2,16,17,18,19)/t12-/m0/s1
InChIKeyUFJRTIGEGHHQOH-LBPRGKRZSA-N
XLogP1.97
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-phenyl-2-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)propan-1-ol?
The IUPAC name of (2S)-3-phenyl-2-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)propan-1-ol (CID 95337096) is (2S)-3-phenyl-2-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)propan-1-ol.
What is the SMILES notation for (2S)-3-phenyl-2-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)propan-1-ol?
The canonical SMILES for (2S)-3-phenyl-2-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)propan-1-ol is OC[C@H](Cc1ccccc1)Nc1ncnc2[nH]ccc12.
What is the InChIKey of (2S)-3-phenyl-2-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)propan-1-ol?
The InChIKey is UFJRTIGEGHHQOH-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H16N4O/c20-9-12(8-11-4-2-1-3-5-11)19-15-13-6-7-16-14(13)17-10-18-15/h1-7,10,12,20H,8-9H2,(H2,16,17,18,19)/t12-/m0/s1.
What are the key properties of (2S)-3-phenyl-2-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)propan-1-ol?
(2S)-3-phenyl-2-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)propan-1-ol has a molecular weight of 268.32 g/mol, XLogP of 1.97, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-phenyl-2-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)propan-1-ol is sourced from PubChem (CID 95337096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).