(2R)-2-[[6-(benzylamino)-9-propan-2-yl-7,8-dihydropurin-2-yl]amino]butan-1-ol

C19H28N6O — CID 46881287

IUPAC(2R)-2-[[6-(benzylamino)-9-propan-2-yl-7,8-dihydropurin-2-yl]amino]butan-1-ol
SMILESCC[C@H](CO)Nc1nc(NCc2ccccc2)c2c(n1)N(C(C)C)CN2
InChIInChI=1S/C19H28N6O/c1-4-15(11-26)22-19-23-17(20-10-14-8-6-5-7-9-14)16-18(24-19)25(12-21-16)13(2)3/h5-9,13,15,21,26H,4,10-12H2,1-3H3,(H2,20,22,23,24)/t15-/m1/s1
InChIKeyRMSINZVFNDWCCK-OAHLLOKOSA-N
MW356.47 g/mol
LogP2.87
Rot. Bonds8

About (2R)-2-[[6-(benzylamino)-9-propan-2-yl-7,8-dihydropurin-2-yl]amino]butan-1-ol

(2R)-2-[[6-(benzylamino)-9-propan-2-yl-7,8-dihydropurin-2-yl]amino]butan-1-ol (PubChem CID 46881287) has the molecular formula C19H28N6O and a molecular weight of 356.47 g/mol. Its IUPAC name is (2R)-2-[[6-(benzylamino)-9-propan-2-yl-7,8-dihydropurin-2-yl]amino]butan-1-ol.

Molecular Properties

Compound Name(2R)-2-[[6-(benzylamino)-9-propan-2-yl-7,8-dihydropurin-2-yl]amino]butan-1-ol
PubChem CID46881287
Molecular FormulaC19H28N6O
Molecular Weight356.47 g/mol
Exact Mass356.23
IUPAC Name(2R)-2-[[6-(benzylamino)-9-propan-2-yl-7,8-dihydropurin-2-yl]amino]butan-1-ol
SMILESCC[C@H](CO)Nc1nc(NCc2ccccc2)c2c(n1)N(C(C)C)CN2
InChIInChI=1S/C19H28N6O/c1-4-15(11-26)22-19-23-17(20-10-14-8-6-5-7-9-14)16-18(24-19)25(12-21-16)13(2)3/h5-9,13,15,21,26H,4,10-12H2,1-3H3,(H2,20,22,23,24)/t15-/m1/s1
InChIKeyRMSINZVFNDWCCK-OAHLLOKOSA-N
XLogP2.87
TPSA85.34 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze (2R)-2-[[6-(benzylamino)-9-propan-2-yl-7,8-dihydropurin-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

Related Compounds

Roscovitine
CID 160355
Olomoucine
CID 4592
2-(1-Ethyl-2-hydroxyethylamino)-6-benzylamino-9-isopropylpurine
CID 5097
(2~{R})-2-[[6-[(4-phenylphenyl)methylamino]-9-propan-2-yl-purin-2-yl]amino]butan-1-ol
CID 10137573
9-Benzyl-2-butoxy-8-hydroxyadenine
CID 9818270
Bohemine
CID 2422
2-((6-(benzylamino)-9-(propan-2-yl)-9H-purin-2-yl)amino)ethan-1-ol
CID 6610355
[(2R)-1-[6-(benzylamino)-9-(propan-2-yl)-9H-purin-2-yl]pyrrolidin-2-yl]methanol
CID 6538915
(2R)-2-{[6-(benzylamino)-9-(propan-2-yl)-9H-purin-2-yl]amino}-2-phenylethan-1-ol
CID 6538920
2,6,9-Trisubstituted purine deriv. 18
CID 6538923
(2R)-2-{[6-(benzylamino)-9-(propan-2-yl)-9H-purin-2-yl]amino}propan-1-ol
CID 6538924
(2S)-2-{[6-(benzylamino)-9-(propan-2-yl)-9H-purin-2-yl]amino}propan-1-ol
CID 6538925

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[6-(benzylamino)-9-propan-2-yl-7,8-dihydropurin-2-yl]amino]butan-1-ol?
The IUPAC name of (2R)-2-[[6-(benzylamino)-9-propan-2-yl-7,8-dihydropurin-2-yl]amino]butan-1-ol (CID 46881287) is (2R)-2-[[6-(benzylamino)-9-propan-2-yl-7,8-dihydropurin-2-yl]amino]butan-1-ol.
What is the SMILES notation for (2R)-2-[[6-(benzylamino)-9-propan-2-yl-7,8-dihydropurin-2-yl]amino]butan-1-ol?
The canonical SMILES for (2R)-2-[[6-(benzylamino)-9-propan-2-yl-7,8-dihydropurin-2-yl]amino]butan-1-ol is CC[C@H](CO)Nc1nc(NCc2ccccc2)c2c(n1)N(C(C)C)CN2.
What is the InChIKey of (2R)-2-[[6-(benzylamino)-9-propan-2-yl-7,8-dihydropurin-2-yl]amino]butan-1-ol?
The InChIKey is RMSINZVFNDWCCK-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H28N6O/c1-4-15(11-26)22-19-23-17(20-10-14-8-6-5-7-9-14)16-18(24-19)25(12-21-16)13(2)3/h5-9,13,15,21,26H,4,10-12H2,1-3H3,(H2,20,22,23,24)/t15-/m1/s1.
What are the key properties of (2R)-2-[[6-(benzylamino)-9-propan-2-yl-7,8-dihydropurin-2-yl]amino]butan-1-ol?
(2R)-2-[[6-(benzylamino)-9-propan-2-yl-7,8-dihydropurin-2-yl]amino]butan-1-ol has a molecular weight of 356.47 g/mol, XLogP of 2.87, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[6-(benzylamino)-9-propan-2-yl-7,8-dihydropurin-2-yl]amino]butan-1-ol is sourced from PubChem (CID 46881287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).