2-chloro-9-propan-2-yl-N-[(4-pyridin-2-ylphenyl)methyl]purin-6-amine;2-chloro-N-[(4-pyridin-2-ylphenyl)methyl]-7H-purin-6-amine;2,6-dichloro-7H-purine;2-[[9-propan-2-yl-6-[(4-pyridin-2-ylphenyl)methylamino]purin-2-yl]amino]propane-1,3-diol

C65H61Cl4N23O2 — CID 157457176

IUPAC2-chloro-9-propan-2-yl-N-[(4-pyridin-2-ylphenyl)methyl]purin-6-amine;2-chloro-N-[(4-pyridin-2-ylphenyl)methyl]-7H-purin-6-amine;2,6-dichloro-7H-purine;2-[[9-propan-2-yl-6-[(4-pyridin-2-ylphenyl)methylamino]purin-2-yl]amino]propane-1,3-diol
SMILESCC(C)n1cnc2c(NCc3ccc(-c4ccccn4)cc3)nc(Cl)nc21.CC(C)n1cnc2c(NCc3ccc(-c4ccccn4)cc3)nc(NC(CO)CO)nc21.Clc1nc(Cl)c2[nH]cnc2n1.Clc1nc(NCc2ccc(-c3ccccn3)cc2)c2[nH]cnc2n1
InChIInChI=1S/C23H27N7O2.C20H19ClN6.C17H13ClN6.C5H2Cl2N4/c1-15(2)30-14-26-20-21(28-23(29-22(20)30)27-18(12-31)13-32)25-11-16-6-8-17(9-7-16)19-5-3-4-10-24-19;1-13(2)27-12-24-17-18(25-20(21)26-19(17)27)23-11-14-6-8-15(9-7-14)16-5-3-4-10-22-16;18-17-23-15(14-16(24-17)22-10-21-14)20-9-11-4-6-12(7-5-11)13-3-1-2-8-19-13;6-3-2-4(9-1-8-2)11-5(7)10-3/h3-10,14-15,18,31-32H,11-13H2,1-2H3,(H2,25,27,28,29);3-10,12-13H,11H2,1-2H3,(H,23,25,26);1-8,10H,9H2,(H2,20,21,22,23,24);1H,(H,8,9,10,11)
InChIKeyBTMPFOBVNZIDFO-UHFFFAOYSA-N
MW1338.17 g/mol
LogP12.92
Rot. Bonds18

About 2-chloro-9-propan-2-yl-N-[(4-pyridin-2-ylphenyl)methyl]purin-6-amine;2-chloro-N-[(4-pyridin-2-ylphenyl)methyl]-7H-purin-6-amine;2,6-dichloro-7H-purine;2-[[9-propan-2-yl-6-[(4-pyridin-2-ylphenyl)methylamino]purin-2-yl]amino]propane-1,3-diol

2-chloro-9-propan-2-yl-N-[(4-pyridin-2-ylphenyl)methyl]purin-6-amine;2-chloro-N-[(4-pyridin-2-ylphenyl)methyl]-7H-purin-6-amine;2,6-dichloro-7H-purine;2-[[9-propan-2-yl-6-[(4-pyridin-2-ylphenyl)methylamino]purin-2-yl]amino]propane-1,3-diol (PubChem CID 157457176) has the molecular formula C65H61Cl4N23O2 and a molecular weight of 1338.17 g/mol. Its IUPAC name is 2-chloro-9-propan-2-yl-N-[(4-pyridin-2-ylphenyl)methyl]purin-6-amine;2-chloro-N-[(4-pyridin-2-ylphenyl)methyl]-7H-purin-6-amine;2,6-dichloro-7H-purine;2-[[9-propan-2-yl-6-[(4-pyridin-2-ylphenyl)methylamino]purin-2-yl]amino]propane-1,3-diol.

Molecular Properties

Compound Name2-chloro-9-propan-2-yl-N-[(4-pyridin-2-ylphenyl)methyl]purin-6-amine;2-chloro-N-[(4-pyridin-2-ylphenyl)methyl]-7H-purin-6-amine;2,6-dichloro-7H-purine;2-[[9-propan-2-yl-6-[(4-pyridin-2-ylphenyl)methylamino]purin-2-yl]amino]propane-1,3-diol
PubChem CID157457176
Molecular FormulaC65H61Cl4N23O2
Molecular Weight1338.17 g/mol
Exact Mass1335.41
IUPAC Name2-chloro-9-propan-2-yl-N-[(4-pyridin-2-ylphenyl)methyl]purin-6-amine;2-chloro-N-[(4-pyridin-2-ylphenyl)methyl]-7H-purin-6-amine;2,6-dichloro-7H-purine;2-[[9-propan-2-yl-6-[(4-pyridin-2-ylphenyl)methylamino]purin-2-yl]amino]propane-1,3-diol
SMILESCC(C)n1cnc2c(NCc3ccc(-c4ccccn4)cc3)nc(Cl)nc21.CC(C)n1cnc2c(NCc3ccc(-c4ccccn4)cc3)nc(NC(CO)CO)nc21.Clc1nc(Cl)c2[nH]cnc2n1.Clc1nc(NCc2ccc(-c3ccccn3)cc2)c2[nH]cnc2n1
InChIInChI=1S/C23H27N7O2.C20H19ClN6.C17H13ClN6.C5H2Cl2N4/c1-15(2)30-14-26-20-21(28-23(29-22(20)30)27-18(12-31)13-32)25-11-16-6-8-17(9-7-16)19-5-3-4-10-24-19;1-13(2)27-12-24-17-18(25-20(21)26-19(17)27)23-11-14-6-8-15(9-7-14)16-5-3-4-10-22-16;18-17-23-15(14-16(24-17)22-10-21-14)20-9-11-4-6-12(7-5-11)13-3-1-2-8-19-13;6-3-2-4(9-1-8-2)11-5(7)10-3/h3-10,14-15,18,31-32H,11-13H2,1-2H3,(H2,25,27,28,29);3-10,12-13H,11H2,1-2H3,(H,23,25,26);1-8,10H,9H2,(H2,20,21,22,23,24);1H,(H,8,9,10,11)
InChIKeyBTMPFOBVNZIDFO-UHFFFAOYSA-N
XLogP12.92
TPSA323.37 Ų
H-Bond Donors8
H-Bond Acceptors23
Rotatable Bonds18
Heavy Atoms94
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001338.17
LogP ≤ 512.92
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1023

Analyze 2-chloro-9-propan-2-yl-N-[(4-pyridin-2-ylphenyl)methyl]purin-6-amine;2-chloro-N-[(4-pyridin-2-ylphenyl)methyl]-7H-purin-6-amine;2,6-dichloro-7H-purine;2-[[9-propan-2-yl-6-[(4-pyridin-2-ylphenyl)methylamino]purin-2-yl]amino]propane-1,3-diol with MolForge

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Launch Full Analysis

Related Compounds

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CID 71719747
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Frequently Asked Questions

What is the IUPAC name of 2-chloro-9-propan-2-yl-N-[(4-pyridin-2-ylphenyl)methyl]purin-6-amine;2-chloro-N-[(4-pyridin-2-ylphenyl)methyl]-7H-purin-6-amine;2,6-dichloro-7H-purine;2-[[9-propan-2-yl-6-[(4-pyridin-2-ylphenyl)methylamino]purin-2-yl]amino]propane-1,3-diol?
The IUPAC name of 2-chloro-9-propan-2-yl-N-[(4-pyridin-2-ylphenyl)methyl]purin-6-amine;2-chloro-N-[(4-pyridin-2-ylphenyl)methyl]-7H-purin-6-amine;2,6-dichloro-7H-purine;2-[[9-propan-2-yl-6-[(4-pyridin-2-ylphenyl)methylamino]purin-2-yl]amino]propane-1,3-diol (CID 157457176) is 2-chloro-9-propan-2-yl-N-[(4-pyridin-2-ylphenyl)methyl]purin-6-amine;2-chloro-N-[(4-pyridin-2-ylphenyl)methyl]-7H-purin-6-amine;2,6-dichloro-7H-purine;2-[[9-propan-2-yl-6-[(4-pyridin-2-ylphenyl)methylamino]purin-2-yl]amino]propane-1,3-diol.
What is the SMILES notation for 2-chloro-9-propan-2-yl-N-[(4-pyridin-2-ylphenyl)methyl]purin-6-amine;2-chloro-N-[(4-pyridin-2-ylphenyl)methyl]-7H-purin-6-amine;2,6-dichloro-7H-purine;2-[[9-propan-2-yl-6-[(4-pyridin-2-ylphenyl)methylamino]purin-2-yl]amino]propane-1,3-diol?
The canonical SMILES for 2-chloro-9-propan-2-yl-N-[(4-pyridin-2-ylphenyl)methyl]purin-6-amine;2-chloro-N-[(4-pyridin-2-ylphenyl)methyl]-7H-purin-6-amine;2,6-dichloro-7H-purine;2-[[9-propan-2-yl-6-[(4-pyridin-2-ylphenyl)methylamino]purin-2-yl]amino]propane-1,3-diol is CC(C)n1cnc2c(NCc3ccc(-c4ccccn4)cc3)nc(Cl)nc21.CC(C)n1cnc2c(NCc3ccc(-c4ccccn4)cc3)nc(NC(CO)CO)nc21.Clc1nc(Cl)c2[nH]cnc2n1.Clc1nc(NCc2ccc(-c3ccccn3)cc2)c2[nH]cnc2n1.
What is the InChIKey of 2-chloro-9-propan-2-yl-N-[(4-pyridin-2-ylphenyl)methyl]purin-6-amine;2-chloro-N-[(4-pyridin-2-ylphenyl)methyl]-7H-purin-6-amine;2,6-dichloro-7H-purine;2-[[9-propan-2-yl-6-[(4-pyridin-2-ylphenyl)methylamino]purin-2-yl]amino]propane-1,3-diol?
The InChIKey is BTMPFOBVNZIDFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7O2.C20H19ClN6.C17H13ClN6.C5H2Cl2N4/c1-15(2)30-14-26-20-21(28-23(29-22(20)30)27-18(12-31)13-32)25-11-16-6-8-17(9-7-16)19-5-3-4-10-24-19;1-13(2)27-12-24-17-18(25-20(21)26-19(17)27)23-11-14-6-8-15(9-7-14)16-5-3-4-10-22-16;18-17-23-15(14-16(24-17)22-10-21-14)20-9-11-4-6-12(7-5-11)13-3-1-2-8-19-13;6-3-2-4(9-1-8-2)11-5(7)10-3/h3-10,14-15,18,31-32H,11-13H2,1-2H3,(H2,25,27,28,29);3-10,12-13H,11H2,1-2H3,(H,23,25,26);1-8,10H,9H2,(H2,20,21,22,23,24);1H,(H,8,9,10,11).
What are the key properties of 2-chloro-9-propan-2-yl-N-[(4-pyridin-2-ylphenyl)methyl]purin-6-amine;2-chloro-N-[(4-pyridin-2-ylphenyl)methyl]-7H-purin-6-amine;2,6-dichloro-7H-purine;2-[[9-propan-2-yl-6-[(4-pyridin-2-ylphenyl)methylamino]purin-2-yl]amino]propane-1,3-diol?
2-chloro-9-propan-2-yl-N-[(4-pyridin-2-ylphenyl)methyl]purin-6-amine;2-chloro-N-[(4-pyridin-2-ylphenyl)methyl]-7H-purin-6-amine;2,6-dichloro-7H-purine;2-[[9-propan-2-yl-6-[(4-pyridin-2-ylphenyl)methylamino]purin-2-yl]amino]propane-1,3-diol has a molecular weight of 1338.17 g/mol, XLogP of 12.92, 18 rotatable bonds, 8 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-9-propan-2-yl-N-[(4-pyridin-2-ylphenyl)methyl]purin-6-amine;2-chloro-N-[(4-pyridin-2-ylphenyl)methyl]-7H-purin-6-amine;2,6-dichloro-7H-purine;2-[[9-propan-2-yl-6-[(4-pyridin-2-ylphenyl)methylamino]purin-2-yl]amino]propane-1,3-diol is sourced from PubChem (CID 157457176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).