(2R)-2-[[9-propan-2-yl-6-(pyridin-2-ylamino)purin-2-yl]amino]butan-1-ol

C17H23N7O — CID 69069650

IUPAC(2R)-2-[[9-propan-2-yl-6-(pyridin-2-ylamino)purin-2-yl]amino]butan-1-ol
SMILESCC[C@H](CO)Nc1nc(Nc2ccccn2)c2ncn(C(C)C)c2n1
InChIInChI=1S/C17H23N7O/c1-4-12(9-25)20-17-22-15(21-13-7-5-6-8-18-13)14-16(23-17)24(10-19-14)11(2)3/h5-8,10-12,25H,4,9H2,1-3H3,(H2,18,20,21,22,23)/t12-/m1/s1
InChIKeySZQLGGOIDGLQBH-GFCCVEGCSA-N
MW341.42 g/mol
LogP2.73
Rot. Bonds7

About (2R)-2-[[9-propan-2-yl-6-(pyridin-2-ylamino)purin-2-yl]amino]butan-1-ol

(2R)-2-[[9-propan-2-yl-6-(pyridin-2-ylamino)purin-2-yl]amino]butan-1-ol (PubChem CID 69069650) has the molecular formula C17H23N7O and a molecular weight of 341.42 g/mol. Its IUPAC name is (2R)-2-[[9-propan-2-yl-6-(pyridin-2-ylamino)purin-2-yl]amino]butan-1-ol.

Molecular Properties

Compound Name(2R)-2-[[9-propan-2-yl-6-(pyridin-2-ylamino)purin-2-yl]amino]butan-1-ol
PubChem CID69069650
Molecular FormulaC17H23N7O
Molecular Weight341.42 g/mol
Exact Mass341.20
IUPAC Name(2R)-2-[[9-propan-2-yl-6-(pyridin-2-ylamino)purin-2-yl]amino]butan-1-ol
SMILESCC[C@H](CO)Nc1nc(Nc2ccccn2)c2ncn(C(C)C)c2n1
InChIInChI=1S/C17H23N7O/c1-4-12(9-25)20-17-22-15(21-13-7-5-6-8-18-13)14-16(23-17)24(10-19-14)11(2)3/h5-8,10-12,25H,4,9H2,1-3H3,(H2,18,20,21,22,23)/t12-/m1/s1
InChIKeySZQLGGOIDGLQBH-GFCCVEGCSA-N
XLogP2.73
TPSA100.78 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze (2R)-2-[[9-propan-2-yl-6-(pyridin-2-ylamino)purin-2-yl]amino]butan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[9-propan-2-yl-6-(pyridin-2-ylamino)purin-2-yl]amino]butan-1-ol?
The IUPAC name of (2R)-2-[[9-propan-2-yl-6-(pyridin-2-ylamino)purin-2-yl]amino]butan-1-ol (CID 69069650) is (2R)-2-[[9-propan-2-yl-6-(pyridin-2-ylamino)purin-2-yl]amino]butan-1-ol.
What is the SMILES notation for (2R)-2-[[9-propan-2-yl-6-(pyridin-2-ylamino)purin-2-yl]amino]butan-1-ol?
The canonical SMILES for (2R)-2-[[9-propan-2-yl-6-(pyridin-2-ylamino)purin-2-yl]amino]butan-1-ol is CC[C@H](CO)Nc1nc(Nc2ccccn2)c2ncn(C(C)C)c2n1.
What is the InChIKey of (2R)-2-[[9-propan-2-yl-6-(pyridin-2-ylamino)purin-2-yl]amino]butan-1-ol?
The InChIKey is SZQLGGOIDGLQBH-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H23N7O/c1-4-12(9-25)20-17-22-15(21-13-7-5-6-8-18-13)14-16(23-17)24(10-19-14)11(2)3/h5-8,10-12,25H,4,9H2,1-3H3,(H2,18,20,21,22,23)/t12-/m1/s1.
What are the key properties of (2R)-2-[[9-propan-2-yl-6-(pyridin-2-ylamino)purin-2-yl]amino]butan-1-ol?
(2R)-2-[[9-propan-2-yl-6-(pyridin-2-ylamino)purin-2-yl]amino]butan-1-ol has a molecular weight of 341.42 g/mol, XLogP of 2.73, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[9-propan-2-yl-6-(pyridin-2-ylamino)purin-2-yl]amino]butan-1-ol is sourced from PubChem (CID 69069650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).