5-[2-chloro-9-(oxolan-3-yl)purin-6-yl]pyrimidin-2-amine;2,6-dichloro-9-(oxolan-3-yl)purine;2,6-dichloro-7H-purine;methane;5-[2-morpholin-4-yl-9-(oxolan-3-yl)purin-6-yl]pyrimidin-2-amine;oxolan-3-ol

C49H54Cl5N23O6 — CID 159610794

IUPAC5-[2-chloro-9-(oxolan-3-yl)purin-6-yl]pyrimidin-2-amine;2,6-dichloro-9-(oxolan-3-yl)purine;2,6-dichloro-7H-purine;methane;5-[2-morpholin-4-yl-9-(oxolan-3-yl)purin-6-yl]pyrimidin-2-amine;oxolan-3-ol
SMILESC.Clc1nc(Cl)c2[nH]cnc2n1.Clc1nc(Cl)c2ncn(C3CCOC3)c2n1.Nc1ncc(-c2nc(Cl)nc3c2ncn3C2CCOC2)cn1.Nc1ncc(-c2nc(N3CCOCC3)nc3c2ncn3C2CCOC2)cn1.OC1CCOC1
InChIInChI=1S/C17H20N8O2.C13H12ClN7O.C9H8Cl2N4O.C5H2Cl2N4.C4H8O2.CH4/c18-16-19-7-11(8-20-16)13-14-15(25(10-21-14)12-1-4-27-9-12)23-17(22-13)24-2-5-26-6-3-24;14-12-19-9(7-3-16-13(15)17-4-7)10-11(20-12)21(6-18-10)8-1-2-22-5-8;10-7-6-8(14-9(11)13-7)15(4-12-6)5-1-2-16-3-5;6-3-2-4(9-1-8-2)11-5(7)10-3;5-4-1-2-6-3-4;/h7-8,10,12H,1-6,9H2,(H2,18,19,20);3-4,6,8H,1-2,5H2,(H2,15,16,17);4-5H,1-3H2;1H,(H,8,9,10,11);4-5H,1-3H2;1H4
InChIKeyMMQZEKAFXXWDPF-UHFFFAOYSA-N
MW1238.39 g/mol
LogP6.30
Rot. Bonds6

About 5-[2-chloro-9-(oxolan-3-yl)purin-6-yl]pyrimidin-2-amine;2,6-dichloro-9-(oxolan-3-yl)purine;2,6-dichloro-7H-purine;methane;5-[2-morpholin-4-yl-9-(oxolan-3-yl)purin-6-yl]pyrimidin-2-amine;oxolan-3-ol

5-[2-chloro-9-(oxolan-3-yl)purin-6-yl]pyrimidin-2-amine;2,6-dichloro-9-(oxolan-3-yl)purine;2,6-dichloro-7H-purine;methane;5-[2-morpholin-4-yl-9-(oxolan-3-yl)purin-6-yl]pyrimidin-2-amine;oxolan-3-ol (PubChem CID 159610794) has the molecular formula C49H54Cl5N23O6 and a molecular weight of 1238.39 g/mol. Its IUPAC name is 5-[2-chloro-9-(oxolan-3-yl)purin-6-yl]pyrimidin-2-amine;2,6-dichloro-9-(oxolan-3-yl)purine;2,6-dichloro-7H-purine;methane;5-[2-morpholin-4-yl-9-(oxolan-3-yl)purin-6-yl]pyrimidin-2-amine;oxolan-3-ol.

Molecular Properties

Compound Name5-[2-chloro-9-(oxolan-3-yl)purin-6-yl]pyrimidin-2-amine;2,6-dichloro-9-(oxolan-3-yl)purine;2,6-dichloro-7H-purine;methane;5-[2-morpholin-4-yl-9-(oxolan-3-yl)purin-6-yl]pyrimidin-2-amine;oxolan-3-ol
PubChem CID159610794
Molecular FormulaC49H54Cl5N23O6
Molecular Weight1238.39 g/mol
Exact Mass1235.31
IUPAC Name5-[2-chloro-9-(oxolan-3-yl)purin-6-yl]pyrimidin-2-amine;2,6-dichloro-9-(oxolan-3-yl)purine;2,6-dichloro-7H-purine;methane;5-[2-morpholin-4-yl-9-(oxolan-3-yl)purin-6-yl]pyrimidin-2-amine;oxolan-3-ol
SMILESC.Clc1nc(Cl)c2[nH]cnc2n1.Clc1nc(Cl)c2ncn(C3CCOC3)c2n1.Nc1ncc(-c2nc(Cl)nc3c2ncn3C2CCOC2)cn1.Nc1ncc(-c2nc(N3CCOCC3)nc3c2ncn3C2CCOC2)cn1.OC1CCOC1
InChIInChI=1S/C17H20N8O2.C13H12ClN7O.C9H8Cl2N4O.C5H2Cl2N4.C4H8O2.CH4/c18-16-19-7-11(8-20-16)13-14-15(25(10-21-14)12-1-4-27-9-12)23-17(22-13)24-2-5-26-6-3-24;14-12-19-9(7-3-16-13(15)17-4-7)10-11(20-12)21(6-18-10)8-1-2-22-5-8;10-7-6-8(14-9(11)13-7)15(4-12-6)5-1-2-16-3-5;6-3-2-4(9-1-8-2)11-5(7)10-3;5-4-1-2-6-3-4;/h7-8,10,12H,1-6,9H2,(H2,18,19,20);3-4,6,8H,1-2,5H2,(H2,15,16,17);4-5H,1-3H2;1H,(H,8,9,10,11);4-5H,1-3H2;1H4
InChIKeyMMQZEKAFXXWDPF-UHFFFAOYSA-N
XLogP6.30
TPSA358.48 Ų
H-Bond Donors4
H-Bond Acceptors28
Rotatable Bonds6
Heavy Atoms83
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001238.39
LogP ≤ 56.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1028

Analyze 5-[2-chloro-9-(oxolan-3-yl)purin-6-yl]pyrimidin-2-amine;2,6-dichloro-9-(oxolan-3-yl)purine;2,6-dichloro-7H-purine;methane;5-[2-morpholin-4-yl-9-(oxolan-3-yl)purin-6-yl]pyrimidin-2-amine;oxolan-3-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[2-chloro-9-(oxolan-3-yl)purin-6-yl]pyrimidin-2-amine;2,6-dichloro-9-(oxolan-3-yl)purine;2,6-dichloro-7H-purine;methane;5-[2-morpholin-4-yl-9-(oxolan-3-yl)purin-6-yl]pyrimidin-2-amine;oxolan-3-ol?
The IUPAC name of 5-[2-chloro-9-(oxolan-3-yl)purin-6-yl]pyrimidin-2-amine;2,6-dichloro-9-(oxolan-3-yl)purine;2,6-dichloro-7H-purine;methane;5-[2-morpholin-4-yl-9-(oxolan-3-yl)purin-6-yl]pyrimidin-2-amine;oxolan-3-ol (CID 159610794) is 5-[2-chloro-9-(oxolan-3-yl)purin-6-yl]pyrimidin-2-amine;2,6-dichloro-9-(oxolan-3-yl)purine;2,6-dichloro-7H-purine;methane;5-[2-morpholin-4-yl-9-(oxolan-3-yl)purin-6-yl]pyrimidin-2-amine;oxolan-3-ol.
What is the SMILES notation for 5-[2-chloro-9-(oxolan-3-yl)purin-6-yl]pyrimidin-2-amine;2,6-dichloro-9-(oxolan-3-yl)purine;2,6-dichloro-7H-purine;methane;5-[2-morpholin-4-yl-9-(oxolan-3-yl)purin-6-yl]pyrimidin-2-amine;oxolan-3-ol?
The canonical SMILES for 5-[2-chloro-9-(oxolan-3-yl)purin-6-yl]pyrimidin-2-amine;2,6-dichloro-9-(oxolan-3-yl)purine;2,6-dichloro-7H-purine;methane;5-[2-morpholin-4-yl-9-(oxolan-3-yl)purin-6-yl]pyrimidin-2-amine;oxolan-3-ol is C.Clc1nc(Cl)c2[nH]cnc2n1.Clc1nc(Cl)c2ncn(C3CCOC3)c2n1.Nc1ncc(-c2nc(Cl)nc3c2ncn3C2CCOC2)cn1.Nc1ncc(-c2nc(N3CCOCC3)nc3c2ncn3C2CCOC2)cn1.OC1CCOC1.
What is the InChIKey of 5-[2-chloro-9-(oxolan-3-yl)purin-6-yl]pyrimidin-2-amine;2,6-dichloro-9-(oxolan-3-yl)purine;2,6-dichloro-7H-purine;methane;5-[2-morpholin-4-yl-9-(oxolan-3-yl)purin-6-yl]pyrimidin-2-amine;oxolan-3-ol?
The InChIKey is MMQZEKAFXXWDPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N8O2.C13H12ClN7O.C9H8Cl2N4O.C5H2Cl2N4.C4H8O2.CH4/c18-16-19-7-11(8-20-16)13-14-15(25(10-21-14)12-1-4-27-9-12)23-17(22-13)24-2-5-26-6-3-24;14-12-19-9(7-3-16-13(15)17-4-7)10-11(20-12)21(6-18-10)8-1-2-22-5-8;10-7-6-8(14-9(11)13-7)15(4-12-6)5-1-2-16-3-5;6-3-2-4(9-1-8-2)11-5(7)10-3;5-4-1-2-6-3-4;/h7-8,10,12H,1-6,9H2,(H2,18,19,20);3-4,6,8H,1-2,5H2,(H2,15,16,17);4-5H,1-3H2;1H,(H,8,9,10,11);4-5H,1-3H2;1H4.
What are the key properties of 5-[2-chloro-9-(oxolan-3-yl)purin-6-yl]pyrimidin-2-amine;2,6-dichloro-9-(oxolan-3-yl)purine;2,6-dichloro-7H-purine;methane;5-[2-morpholin-4-yl-9-(oxolan-3-yl)purin-6-yl]pyrimidin-2-amine;oxolan-3-ol?
5-[2-chloro-9-(oxolan-3-yl)purin-6-yl]pyrimidin-2-amine;2,6-dichloro-9-(oxolan-3-yl)purine;2,6-dichloro-7H-purine;methane;5-[2-morpholin-4-yl-9-(oxolan-3-yl)purin-6-yl]pyrimidin-2-amine;oxolan-3-ol has a molecular weight of 1238.39 g/mol, XLogP of 6.30, 6 rotatable bonds, 4 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-chloro-9-(oxolan-3-yl)purin-6-yl]pyrimidin-2-amine;2,6-dichloro-9-(oxolan-3-yl)purine;2,6-dichloro-7H-purine;methane;5-[2-morpholin-4-yl-9-(oxolan-3-yl)purin-6-yl]pyrimidin-2-amine;oxolan-3-ol is sourced from PubChem (CID 159610794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).