2-chloro-9-(oxan-2-yl)purin-6-amine;2,6-dichloro-7H-purine;8-methoxy-2-methyl-7H-purin-6-amine;2-methyl-9-(oxan-2-yl)purin-6-amine

C33H38Cl3N19O3 — CID 158654548

IUPAC2-chloro-9-(oxan-2-yl)purin-6-amine;2,6-dichloro-7H-purine;8-methoxy-2-methyl-7H-purin-6-amine;2-methyl-9-(oxan-2-yl)purin-6-amine
SMILESCOc1nc2nc(C)nc(N)c2[nH]1.Cc1nc(N)c2ncn(C3CCCCO3)c2n1.Clc1nc(Cl)c2[nH]cnc2n1.Nc1nc(Cl)nc2c1ncn2C1CCCCO1
InChIInChI=1S/C11H15N5O.C10H12ClN5O.C7H9N5O.C5H2Cl2N4/c1-7-14-10(12)9-11(15-7)16(6-13-9)8-4-2-3-5-17-8;11-10-14-8(12)7-9(15-10)16(5-13-7)6-3-1-2-4-17-6;1-3-9-5(8)4-6(10-3)12-7(11-4)13-2;6-3-2-4(9-1-8-2)11-5(7)10-3/h6,8H,2-5H2,1H3,(H2,12,14,15);5-6H,1-4H2,(H2,12,14,15);1-2H3,(H3,8,9,10,11,12);1H,(H,8,9,10,11)
InChIKeyIBYWKEQBTVAQAQ-UHFFFAOYSA-N
MW855.16 g/mol
LogP5.09
Rot. Bonds3

About 2-chloro-9-(oxan-2-yl)purin-6-amine;2,6-dichloro-7H-purine;8-methoxy-2-methyl-7H-purin-6-amine;2-methyl-9-(oxan-2-yl)purin-6-amine

2-chloro-9-(oxan-2-yl)purin-6-amine;2,6-dichloro-7H-purine;8-methoxy-2-methyl-7H-purin-6-amine;2-methyl-9-(oxan-2-yl)purin-6-amine (PubChem CID 158654548) has the molecular formula C33H38Cl3N19O3 and a molecular weight of 855.16 g/mol. Its IUPAC name is 2-chloro-9-(oxan-2-yl)purin-6-amine;2,6-dichloro-7H-purine;8-methoxy-2-methyl-7H-purin-6-amine;2-methyl-9-(oxan-2-yl)purin-6-amine.

Molecular Properties

Compound Name2-chloro-9-(oxan-2-yl)purin-6-amine;2,6-dichloro-7H-purine;8-methoxy-2-methyl-7H-purin-6-amine;2-methyl-9-(oxan-2-yl)purin-6-amine
PubChem CID158654548
Molecular FormulaC33H38Cl3N19O3
Molecular Weight855.16 g/mol
Exact Mass853.25
IUPAC Name2-chloro-9-(oxan-2-yl)purin-6-amine;2,6-dichloro-7H-purine;8-methoxy-2-methyl-7H-purin-6-amine;2-methyl-9-(oxan-2-yl)purin-6-amine
SMILESCOc1nc2nc(C)nc(N)c2[nH]1.Cc1nc(N)c2ncn(C3CCCCO3)c2n1.Clc1nc(Cl)c2[nH]cnc2n1.Nc1nc(Cl)nc2c1ncn2C1CCCCO1
InChIInChI=1S/C11H15N5O.C10H12ClN5O.C7H9N5O.C5H2Cl2N4/c1-7-14-10(12)9-11(15-7)16(6-13-9)8-4-2-3-5-17-8;11-10-14-8(12)7-9(15-10)16(5-13-7)6-3-1-2-4-17-6;1-3-9-5(8)4-6(10-3)12-7(11-4)13-2;6-3-2-4(9-1-8-2)11-5(7)10-3/h6,8H,2-5H2,1H3,(H2,12,14,15);5-6H,1-4H2,(H2,12,14,15);1-2H3,(H3,8,9,10,11,12);1H,(H,8,9,10,11)
InChIKeyIBYWKEQBTVAQAQ-UHFFFAOYSA-N
XLogP5.09
TPSA301.87 Ų
H-Bond Donors5
H-Bond Acceptors20
Rotatable Bonds3
Heavy Atoms58
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500855.16
LogP ≤ 55.09
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1020

Analyze 2-chloro-9-(oxan-2-yl)purin-6-amine;2,6-dichloro-7H-purine;8-methoxy-2-methyl-7H-purin-6-amine;2-methyl-9-(oxan-2-yl)purin-6-amine 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

2-methoxy-6-methyl-9-(oxan-2-yl)purine
CID 133059804
5-chloro-4-(6-methoxy-3-pyridinyl)-3-[2-methyl-9-(oxan-2-yl)purin-6-yl]pyridin-2-amine
CID 142788989
2-chloro-N-cyclohexyl-9-(oxan-2-yl)purin-6-amine;2-chloro-N-cyclohexyl-7H-purin-6-amine;3,4-dihydro-2H-pyran;methane;oxolane
CID 159649220
2-chloro-6,9-dimethylpurine;2-chloro-6-methyl-7H-purine;2,6-dichloro-7H-purine;2,6,9-trimethylpurine
CID 157170667
1-N,4-N-bis[2-chloro-9-(oxan-2-yl)purin-6-yl]cyclohexane-1,4-diamine
CID 59343091
2-chloro-N-(2,4-dimethoxyphenyl)-9-(oxan-2-yl)purin-6-amine
CID 146574556
[4-[2-chloro-9-(oxan-2-yl)purin-6-yl]phenyl] N-ethylcarbamate
CID 87466958
4-[[2,4-dichloro-5-[2-chloro-9-(oxan-2-yl)purin-6-yl]phenoxy]methyl]benzaldehyde;N-[[4-[[2,4-dichloro-5-(2-chloro-7H-purin-6-yl)phenoxy]methyl]phenyl]methyl]-N-ethylethanamine;4-[(2,4-dichloro-5-iodophenoxy)methyl]benzaldehyde
CID 159423609
2,6-dichloro-9-[(4-methoxyphenyl)methyl]purine;2,6-dichloro-7H-purine
CID 158330316
potassium;2,6-dichloro-7H-purine;hydride
CID 173320369
2,6-dichloro-7H-purine
CID 10750289
3-N-[2-chloro-9-(oxolan-2-yl)purin-6-yl]benzene-1,3-diamine
CID 146575151

Frequently Asked Questions

What is the IUPAC name of 2-chloro-9-(oxan-2-yl)purin-6-amine;2,6-dichloro-7H-purine;8-methoxy-2-methyl-7H-purin-6-amine;2-methyl-9-(oxan-2-yl)purin-6-amine?
The IUPAC name of 2-chloro-9-(oxan-2-yl)purin-6-amine;2,6-dichloro-7H-purine;8-methoxy-2-methyl-7H-purin-6-amine;2-methyl-9-(oxan-2-yl)purin-6-amine (CID 158654548) is 2-chloro-9-(oxan-2-yl)purin-6-amine;2,6-dichloro-7H-purine;8-methoxy-2-methyl-7H-purin-6-amine;2-methyl-9-(oxan-2-yl)purin-6-amine.
What is the SMILES notation for 2-chloro-9-(oxan-2-yl)purin-6-amine;2,6-dichloro-7H-purine;8-methoxy-2-methyl-7H-purin-6-amine;2-methyl-9-(oxan-2-yl)purin-6-amine?
The canonical SMILES for 2-chloro-9-(oxan-2-yl)purin-6-amine;2,6-dichloro-7H-purine;8-methoxy-2-methyl-7H-purin-6-amine;2-methyl-9-(oxan-2-yl)purin-6-amine is COc1nc2nc(C)nc(N)c2[nH]1.Cc1nc(N)c2ncn(C3CCCCO3)c2n1.Clc1nc(Cl)c2[nH]cnc2n1.Nc1nc(Cl)nc2c1ncn2C1CCCCO1.
What is the InChIKey of 2-chloro-9-(oxan-2-yl)purin-6-amine;2,6-dichloro-7H-purine;8-methoxy-2-methyl-7H-purin-6-amine;2-methyl-9-(oxan-2-yl)purin-6-amine?
The InChIKey is IBYWKEQBTVAQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O.C10H12ClN5O.C7H9N5O.C5H2Cl2N4/c1-7-14-10(12)9-11(15-7)16(6-13-9)8-4-2-3-5-17-8;11-10-14-8(12)7-9(15-10)16(5-13-7)6-3-1-2-4-17-6;1-3-9-5(8)4-6(10-3)12-7(11-4)13-2;6-3-2-4(9-1-8-2)11-5(7)10-3/h6,8H,2-5H2,1H3,(H2,12,14,15);5-6H,1-4H2,(H2,12,14,15);1-2H3,(H3,8,9,10,11,12);1H,(H,8,9,10,11).
What are the key properties of 2-chloro-9-(oxan-2-yl)purin-6-amine;2,6-dichloro-7H-purine;8-methoxy-2-methyl-7H-purin-6-amine;2-methyl-9-(oxan-2-yl)purin-6-amine?
2-chloro-9-(oxan-2-yl)purin-6-amine;2,6-dichloro-7H-purine;8-methoxy-2-methyl-7H-purin-6-amine;2-methyl-9-(oxan-2-yl)purin-6-amine has a molecular weight of 855.16 g/mol, XLogP of 5.09, 3 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-9-(oxan-2-yl)purin-6-amine;2,6-dichloro-7H-purine;8-methoxy-2-methyl-7H-purin-6-amine;2-methyl-9-(oxan-2-yl)purin-6-amine is sourced from PubChem (CID 158654548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).