(2R)-2-[[6-(benzylamino)-9-propan-2-ylpurin-2-yl]amino]-3-phenylpropan-1-ol

C24H28N6O — CID 6538922

IUPAC(2R)-2-[[6-(benzylamino)-9-propan-2-ylpurin-2-yl]amino]-3-phenylpropan-1-ol
SMILESCC(C)n1cnc2c(NCc3ccccc3)nc(N[C@@H](CO)Cc3ccccc3)nc21
InChIInChI=1S/C24H28N6O/c1-17(2)30-16-26-21-22(25-14-19-11-7-4-8-12-19)28-24(29-23(21)30)27-20(15-31)13-18-9-5-3-6-10-18/h3-12,16-17,20,31H,13-15H2,1-2H3,(H2,25,27,28,29)/t20-/m1/s1
InChIKeyDDFMQYRPIBVRHP-HXUWFJFHSA-N
MW416.53 g/mol
LogP4.03
Rot. Bonds9

About (2R)-2-[[6-(benzylamino)-9-propan-2-ylpurin-2-yl]amino]-3-phenylpropan-1-ol

(2R)-2-[[6-(benzylamino)-9-propan-2-ylpurin-2-yl]amino]-3-phenylpropan-1-ol (PubChem CID 6538922) has the molecular formula C24H28N6O and a molecular weight of 416.53 g/mol. Its IUPAC name is (2R)-2-[[6-(benzylamino)-9-propan-2-ylpurin-2-yl]amino]-3-phenylpropan-1-ol.

Molecular Properties

Compound Name(2R)-2-[[6-(benzylamino)-9-propan-2-ylpurin-2-yl]amino]-3-phenylpropan-1-ol
PubChem CID6538922
Molecular FormulaC24H28N6O
Molecular Weight416.53 g/mol
Exact Mass416.23
IUPAC Name(2R)-2-[[6-(benzylamino)-9-propan-2-ylpurin-2-yl]amino]-3-phenylpropan-1-ol
SMILESCC(C)n1cnc2c(NCc3ccccc3)nc(N[C@@H](CO)Cc3ccccc3)nc21
InChIInChI=1S/C24H28N6O/c1-17(2)30-16-26-21-22(25-14-19-11-7-4-8-12-19)28-24(29-23(21)30)27-20(15-31)13-18-9-5-3-6-10-18/h3-12,16-17,20,31H,13-15H2,1-2H3,(H2,25,27,28,29)/t20-/m1/s1
InChIKeyDDFMQYRPIBVRHP-HXUWFJFHSA-N
XLogP4.03
TPSA87.89 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 54.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (2R)-2-[[6-(benzylamino)-9-propan-2-ylpurin-2-yl]amino]-3-phenylpropan-1-ol with MolForge

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Related Compounds

Roscovitine
CID 160355
Olomoucine
CID 4592
Purvalanol A
CID 456214
6-benzylamino-9-(2-tetrahydropyranyl)-9H-purine
CID 16834
Fadraciclib
CID 24983461
Benzyladenosine
CID 92208
9-(2-phenylethyl)-9H-purin-6-amine
CID 309375
2-(1-Ethyl-2-hydroxyethylamino)-6-benzylamino-9-isopropylpurine
CID 5097
Metrifudil
CID 65710
(R)-Pia
CID 93205
(2R)-2-({9-(1-methylethyl)-6-[(4-pyridin-2-ylbenzyl)amino]-9H-purin-2-yl}amino)butan-1-ol
CID 10224714
(2~{R})-2-[[6-[(4-phenylphenyl)methylamino]-9-propan-2-yl-purin-2-yl]amino]butan-1-ol
CID 10137573

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[6-(benzylamino)-9-propan-2-ylpurin-2-yl]amino]-3-phenylpropan-1-ol?
The IUPAC name of (2R)-2-[[6-(benzylamino)-9-propan-2-ylpurin-2-yl]amino]-3-phenylpropan-1-ol (CID 6538922) is (2R)-2-[[6-(benzylamino)-9-propan-2-ylpurin-2-yl]amino]-3-phenylpropan-1-ol.
What is the SMILES notation for (2R)-2-[[6-(benzylamino)-9-propan-2-ylpurin-2-yl]amino]-3-phenylpropan-1-ol?
The canonical SMILES for (2R)-2-[[6-(benzylamino)-9-propan-2-ylpurin-2-yl]amino]-3-phenylpropan-1-ol is CC(C)n1cnc2c(NCc3ccccc3)nc(N[C@@H](CO)Cc3ccccc3)nc21.
What is the InChIKey of (2R)-2-[[6-(benzylamino)-9-propan-2-ylpurin-2-yl]amino]-3-phenylpropan-1-ol?
The InChIKey is DDFMQYRPIBVRHP-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H28N6O/c1-17(2)30-16-26-21-22(25-14-19-11-7-4-8-12-19)28-24(29-23(21)30)27-20(15-31)13-18-9-5-3-6-10-18/h3-12,16-17,20,31H,13-15H2,1-2H3,(H2,25,27,28,29)/t20-/m1/s1.
What are the key properties of (2R)-2-[[6-(benzylamino)-9-propan-2-ylpurin-2-yl]amino]-3-phenylpropan-1-ol?
(2R)-2-[[6-(benzylamino)-9-propan-2-ylpurin-2-yl]amino]-3-phenylpropan-1-ol has a molecular weight of 416.53 g/mol, XLogP of 4.03, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[6-(benzylamino)-9-propan-2-ylpurin-2-yl]amino]-3-phenylpropan-1-ol is sourced from PubChem (CID 6538922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).