(2R)-2-[[7-(benzylamino)-3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidin-5-yl]amino]butan-1-ol

C19H26N6O — CID 51000420

IUPAC(2R)-2-[[7-(benzylamino)-3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidin-5-yl]amino]butan-1-ol
SMILESCC[C@H](CO)Nc1nc(NCc2ccccc2)c2n[nH]c(C(C)C)c2n1
InChIInChI=1S/C19H26N6O/c1-4-14(11-26)21-19-22-16-15(12(2)3)24-25-17(16)18(23-19)20-10-13-8-6-5-7-9-13/h5-9,12,14,26H,4,10-11H2,1-3H3,(H,24,25)(H2,20,21,22,23)/t14-/m1/s1
InChIKeyAOPRHEOJTUWSAR-CQSZACIVSA-N
MW354.46 g/mol
LogP3.27
Rot. Bonds8

About (2R)-2-[[7-(benzylamino)-3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidin-5-yl]amino]butan-1-ol

(2R)-2-[[7-(benzylamino)-3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidin-5-yl]amino]butan-1-ol (PubChem CID 51000420) has the molecular formula C19H26N6O and a molecular weight of 354.46 g/mol. Its IUPAC name is (2R)-2-[[7-(benzylamino)-3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidin-5-yl]amino]butan-1-ol.

Molecular Properties

Compound Name(2R)-2-[[7-(benzylamino)-3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidin-5-yl]amino]butan-1-ol
PubChem CID51000420
Molecular FormulaC19H26N6O
Molecular Weight354.46 g/mol
Exact Mass354.22
IUPAC Name(2R)-2-[[7-(benzylamino)-3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidin-5-yl]amino]butan-1-ol
SMILESCC[C@H](CO)Nc1nc(NCc2ccccc2)c2n[nH]c(C(C)C)c2n1
InChIInChI=1S/C19H26N6O/c1-4-14(11-26)21-19-22-16-15(12(2)3)24-25-17(16)18(23-19)20-10-13-8-6-5-7-9-13/h5-9,12,14,26H,4,10-11H2,1-3H3,(H,24,25)(H2,20,21,22,23)/t14-/m1/s1
InChIKeyAOPRHEOJTUWSAR-CQSZACIVSA-N
XLogP3.27
TPSA98.75 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 53.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze (2R)-2-[[7-(benzylamino)-3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidin-5-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-[[7-(benzylamino)-3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidin-5-yl]amino]butan-1-ol?
The IUPAC name of (2R)-2-[[7-(benzylamino)-3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidin-5-yl]amino]butan-1-ol (CID 51000420) is (2R)-2-[[7-(benzylamino)-3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidin-5-yl]amino]butan-1-ol.
What is the SMILES notation for (2R)-2-[[7-(benzylamino)-3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidin-5-yl]amino]butan-1-ol?
The canonical SMILES for (2R)-2-[[7-(benzylamino)-3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidin-5-yl]amino]butan-1-ol is CC[C@H](CO)Nc1nc(NCc2ccccc2)c2n[nH]c(C(C)C)c2n1.
What is the InChIKey of (2R)-2-[[7-(benzylamino)-3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidin-5-yl]amino]butan-1-ol?
The InChIKey is AOPRHEOJTUWSAR-CQSZACIVSA-N. The full InChI is InChI=1S/C19H26N6O/c1-4-14(11-26)21-19-22-16-15(12(2)3)24-25-17(16)18(23-19)20-10-13-8-6-5-7-9-13/h5-9,12,14,26H,4,10-11H2,1-3H3,(H,24,25)(H2,20,21,22,23)/t14-/m1/s1.
What are the key properties of (2R)-2-[[7-(benzylamino)-3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidin-5-yl]amino]butan-1-ol?
(2R)-2-[[7-(benzylamino)-3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidin-5-yl]amino]butan-1-ol has a molecular weight of 354.46 g/mol, XLogP of 3.27, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[7-(benzylamino)-3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidin-5-yl]amino]butan-1-ol is sourced from PubChem (CID 51000420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).