2-N-(4-aminocyclohexyl)-6-N-[[6-(furan-2-yl)-3-pyridinyl]methyl]-9-propan-2-ylpurine-2,6-diamine

C24H30N8O — CID 20609933

IUPAC2-N-(4-aminocyclohexyl)-6-N-[[6-(furan-2-yl)-3-pyridinyl]methyl]-9-propan-2-ylpurine-2,6-diamine
SMILESCC(C)n1cnc2c(NCc3ccc(-c4ccco4)nc3)nc(NC3CCC(N)CC3)nc21
InChIInChI=1S/C24H30N8O/c1-15(2)32-14-28-21-22(27-13-16-5-10-19(26-12-16)20-4-3-11-33-20)30-24(31-23(21)32)29-18-8-6-17(25)7-9-18/h3-5,10-12,14-15,17-18H,6-9,13,25H2,1-2H3,(H2,27,29,30,31)
InChIKeyKMMAJDLMNFFWME-UHFFFAOYSA-N
MW446.56 g/mol
LogP4.36
Rot. Bonds7

About 2-N-(4-aminocyclohexyl)-6-N-[[6-(furan-2-yl)-3-pyridinyl]methyl]-9-propan-2-ylpurine-2,6-diamine

2-N-(4-aminocyclohexyl)-6-N-[[6-(furan-2-yl)-3-pyridinyl]methyl]-9-propan-2-ylpurine-2,6-diamine (PubChem CID 20609933) has the molecular formula C24H30N8O and a molecular weight of 446.56 g/mol. Its IUPAC name is 2-N-(4-aminocyclohexyl)-6-N-[[6-(furan-2-yl)-3-pyridinyl]methyl]-9-propan-2-ylpurine-2,6-diamine.

Molecular Properties

Compound Name2-N-(4-aminocyclohexyl)-6-N-[[6-(furan-2-yl)-3-pyridinyl]methyl]-9-propan-2-ylpurine-2,6-diamine
PubChem CID20609933
Molecular FormulaC24H30N8O
Molecular Weight446.56 g/mol
Exact Mass446.25
IUPAC Name2-N-(4-aminocyclohexyl)-6-N-[[6-(furan-2-yl)-3-pyridinyl]methyl]-9-propan-2-ylpurine-2,6-diamine
SMILESCC(C)n1cnc2c(NCc3ccc(-c4ccco4)nc3)nc(NC3CCC(N)CC3)nc21
InChIInChI=1S/C24H30N8O/c1-15(2)32-14-28-21-22(27-13-16-5-10-19(26-12-16)20-4-3-11-33-20)30-24(31-23(21)32)29-18-8-6-17(25)7-9-18/h3-5,10-12,14-15,17-18H,6-9,13,25H2,1-2H3,(H2,27,29,30,31)
InChIKeyKMMAJDLMNFFWME-UHFFFAOYSA-N
XLogP4.36
TPSA119.71 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.56
LogP ≤ 54.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 2-N-(4-aminocyclohexyl)-6-N-[[6-(furan-2-yl)-3-pyridinyl]methyl]-9-propan-2-ylpurine-2,6-diamine with MolForge

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Related Compounds

Las-38096
CID 11716665
(E/Z)-2-Cyano-3-(5-(1-cyclohexyl-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridin-2-yl)furan-2-yl)-N,N-dimethylacrylamide
CID 122197584
Noberastine
CID 60531
Jak3-IN-5
CID 122362932
(~{E})-3-[5-(3-cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),4,7,11-pentaen-4-yl)furan-2-yl]prop-2-enenitrile
CID 134611727
2-Cyano-3-[5-(3-Cyclohexyl-3,5,8,10-Tetrazatricyclo[7.3.0.0^{2,6}]dodeca-1,4,6,8,11-Pentaen-4-Yl)furan-2-Yl]-~{n},~{n}-Dimethyl-Prop-2-Enamide
CID 138108525
9-(3-aminobenzyl)-6-(2-furyl)-9H-purine-2-amine
CID 9836155
4-(furan-2-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 21976428
1-{(3s)-1-[4-(1-Benzofuran-2-Yl)pyrimidin-2-Yl]piperidin-3-Yl}-3-Ethyl-1,3-Dihydro-2h-Benzimidazol-2-One
CID 25198728
6-Furan-2-yl-9-phenethyl-9H-purin-2-ylamine
CID 44401799
9-benzyl-6-(furan-2-yl)-9H-purin-2-amine
CID 44401938
6-(2-Furyl)-9-(3-nitrobenzyl)-9H-purine-2-amine
CID 44449695

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-aminocyclohexyl)-6-N-[[6-(furan-2-yl)-3-pyridinyl]methyl]-9-propan-2-ylpurine-2,6-diamine?
The IUPAC name of 2-N-(4-aminocyclohexyl)-6-N-[[6-(furan-2-yl)-3-pyridinyl]methyl]-9-propan-2-ylpurine-2,6-diamine (CID 20609933) is 2-N-(4-aminocyclohexyl)-6-N-[[6-(furan-2-yl)-3-pyridinyl]methyl]-9-propan-2-ylpurine-2,6-diamine.
What is the SMILES notation for 2-N-(4-aminocyclohexyl)-6-N-[[6-(furan-2-yl)-3-pyridinyl]methyl]-9-propan-2-ylpurine-2,6-diamine?
The canonical SMILES for 2-N-(4-aminocyclohexyl)-6-N-[[6-(furan-2-yl)-3-pyridinyl]methyl]-9-propan-2-ylpurine-2,6-diamine is CC(C)n1cnc2c(NCc3ccc(-c4ccco4)nc3)nc(NC3CCC(N)CC3)nc21.
What is the InChIKey of 2-N-(4-aminocyclohexyl)-6-N-[[6-(furan-2-yl)-3-pyridinyl]methyl]-9-propan-2-ylpurine-2,6-diamine?
The InChIKey is KMMAJDLMNFFWME-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N8O/c1-15(2)32-14-28-21-22(27-13-16-5-10-19(26-12-16)20-4-3-11-33-20)30-24(31-23(21)32)29-18-8-6-17(25)7-9-18/h3-5,10-12,14-15,17-18H,6-9,13,25H2,1-2H3,(H2,27,29,30,31).
What are the key properties of 2-N-(4-aminocyclohexyl)-6-N-[[6-(furan-2-yl)-3-pyridinyl]methyl]-9-propan-2-ylpurine-2,6-diamine?
2-N-(4-aminocyclohexyl)-6-N-[[6-(furan-2-yl)-3-pyridinyl]methyl]-9-propan-2-ylpurine-2,6-diamine has a molecular weight of 446.56 g/mol, XLogP of 4.36, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-aminocyclohexyl)-6-N-[[6-(furan-2-yl)-3-pyridinyl]methyl]-9-propan-2-ylpurine-2,6-diamine is sourced from PubChem (CID 20609933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).