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

C37H56Cl2N10O3 — CID 159649220

IUPAC2-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
SMILESC.C1=COCCC1.C1CCOC1.Clc1nc(NC2CCCCC2)c2[nH]cnc2n1.Clc1nc(NC2CCCCC2)c2ncn(C3CCCCO3)c2n1
InChIInChI=1S/C16H22ClN5O.C11H14ClN5.C5H8O.C4H8O.CH4/c17-16-20-14(19-11-6-2-1-3-7-11)13-15(21-16)22(10-18-13)12-8-4-5-9-23-12;12-11-16-9-8(13-6-14-9)10(17-11)15-7-4-2-1-3-5-7;1-2-4-6-5-3-1;1-2-4-5-3-1;/h10-12H,1-9H2,(H,19,20,21);6-7H,1-5H2,(H2,13,14,15,16,17);2,4H,1,3,5H2;1-4H2;1H4
InChIKeyMRISUTCHBRBSCZ-UHFFFAOYSA-N
MW759.83 g/mol
LogP9.42
Rot. Bonds5

About 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

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 (PubChem CID 159649220) has the molecular formula C37H56Cl2N10O3 and a molecular weight of 759.83 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID159649220
Molecular FormulaC37H56Cl2N10O3
Molecular Weight759.83 g/mol
Exact Mass758.39
IUPAC Name2-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
SMILESC.C1=COCCC1.C1CCOC1.Clc1nc(NC2CCCCC2)c2[nH]cnc2n1.Clc1nc(NC2CCCCC2)c2ncn(C3CCCCO3)c2n1
InChIInChI=1S/C16H22ClN5O.C11H14ClN5.C5H8O.C4H8O.CH4/c17-16-20-14(19-11-6-2-1-3-7-11)13-15(21-16)22(10-18-13)12-8-4-5-9-23-12;12-11-16-9-8(13-6-14-9)10(17-11)15-7-4-2-1-3-5-7;1-2-4-6-5-3-1;1-2-4-5-3-1;/h10-12H,1-9H2,(H,19,20,21);6-7H,1-5H2,(H2,13,14,15,16,17);2,4H,1,3,5H2;1-4H2;1H4
InChIKeyMRISUTCHBRBSCZ-UHFFFAOYSA-N
XLogP9.42
TPSA149.81 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500759.83
LogP ≤ 59.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Analyze 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 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

1-N,4-N-bis[2-chloro-9-(oxan-2-yl)purin-6-yl]cyclohexane-1,4-diamine
CID 59343091
2-chloro-N-cyclooctyl-7H-purin-6-amine
CID 11587232
N-cyclopropyl-2-iodo-9-(oxan-2-yl)purin-6-amine
CID 141152403
2-chloro-N-(4-morpholin-4-ylcyclohexyl)-7H-purin-6-amine
CID 87725250
2-chloro-9-(oxan-2-yl)-N-(3,3,3-trifluoropropyl)purin-6-amine
CID 175035843
6-chloro-N-cyclohexyl-1-(oxan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 118518117
4-[[2-chloro-9-(oxan-2-yl)purin-6-yl]amino]benzene-1,3-diol
CID 146574987
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
2-chloro-9-(oxan-2-yl)-N-(2,3,4-trifluorophenyl)purin-6-amine
CID 146574717
3-[[2-chloro-9-(oxolan-2-yl)purin-6-yl]amino]phenol
CID 146574627
3-N-[2-chloro-9-(oxolan-2-yl)purin-6-yl]benzene-1,3-diamine
CID 146575151
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C.C1=COCCC1.C1CCOC1.Clc1nc(NC2CCCCC2)c2[nH]cnc2n1.Clc1nc(NC2CCCCC2)c2ncn(C3CCCCO3)c2n1.
What is the InChIKey of 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?
The InChIKey is MRISUTCHBRBSCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN5O.C11H14ClN5.C5H8O.C4H8O.CH4/c17-16-20-14(19-11-6-2-1-3-7-11)13-15(21-16)22(10-18-13)12-8-4-5-9-23-12;12-11-16-9-8(13-6-14-9)10(17-11)15-7-4-2-1-3-5-7;1-2-4-6-5-3-1;1-2-4-5-3-1;/h10-12H,1-9H2,(H,19,20,21);6-7H,1-5H2,(H2,13,14,15,16,17);2,4H,1,3,5H2;1-4H2;1H4.
What are the key properties of 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?
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 has a molecular weight of 759.83 g/mol, XLogP of 9.42, 5 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159649220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).