2,8-dimethyl-N-[[5-[[6-[(5-methylfuran-2-yl)methylamino]-7H-purin-2-yl]methyl]furan-2-yl]methyl]-7H-purin-6-amine

C24H24N10O2 — CID 142507029

IUPAC2,8-dimethyl-N-[[5-[[6-[(5-methylfuran-2-yl)methylamino]-7H-purin-2-yl]methyl]furan-2-yl]methyl]-7H-purin-6-amine
SMILESCc1nc(NCc2ccc(Cc3nc(NCc4ccc(C)o4)c4[nH]cnc4n3)o2)c2[nH]c(C)nc2n1
InChIInChI=1S/C24H24N10O2/c1-12-4-5-16(35-12)9-25-21-19-22(28-11-27-19)34-18(33-21)8-15-6-7-17(36-15)10-26-23-20-24(31-13(2)29-20)32-14(3)30-23/h4-7,11H,8-10H2,1-3H3,(H2,25,27,28,33,34)(H2,26,29,30,31,32)
InChIKeyMYJWWRLQEAXVMV-UHFFFAOYSA-N
MW484.52 g/mol
LogP3.95
Rot. Bonds8

About 2,8-dimethyl-N-[[5-[[6-[(5-methylfuran-2-yl)methylamino]-7H-purin-2-yl]methyl]furan-2-yl]methyl]-7H-purin-6-amine

2,8-dimethyl-N-[[5-[[6-[(5-methylfuran-2-yl)methylamino]-7H-purin-2-yl]methyl]furan-2-yl]methyl]-7H-purin-6-amine (PubChem CID 142507029) has the molecular formula C24H24N10O2 and a molecular weight of 484.52 g/mol. Its IUPAC name is 2,8-dimethyl-N-[[5-[[6-[(5-methylfuran-2-yl)methylamino]-7H-purin-2-yl]methyl]furan-2-yl]methyl]-7H-purin-6-amine.

Molecular Properties

Compound Name2,8-dimethyl-N-[[5-[[6-[(5-methylfuran-2-yl)methylamino]-7H-purin-2-yl]methyl]furan-2-yl]methyl]-7H-purin-6-amine
PubChem CID142507029
Molecular FormulaC24H24N10O2
Molecular Weight484.52 g/mol
Exact Mass484.21
IUPAC Name2,8-dimethyl-N-[[5-[[6-[(5-methylfuran-2-yl)methylamino]-7H-purin-2-yl]methyl]furan-2-yl]methyl]-7H-purin-6-amine
SMILESCc1nc(NCc2ccc(Cc3nc(NCc4ccc(C)o4)c4[nH]cnc4n3)o2)c2[nH]c(C)nc2n1
InChIInChI=1S/C24H24N10O2/c1-12-4-5-16(35-12)9-25-21-19-22(28-11-27-19)34-18(33-21)8-15-6-7-17(36-15)10-26-23-20-24(31-13(2)29-20)32-14(3)30-23/h4-7,11H,8-10H2,1-3H3,(H2,25,27,28,33,34)(H2,26,29,30,31,32)
InChIKeyMYJWWRLQEAXVMV-UHFFFAOYSA-N
XLogP3.95
TPSA159.26 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.52
LogP ≤ 53.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 2,8-dimethyl-N-[[5-[[6-[(5-methylfuran-2-yl)methylamino]-7H-purin-2-yl]methyl]furan-2-yl]methyl]-7H-purin-6-amine with MolForge

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Related Compounds

Kinetin
CID 3830
Noberastine
CID 60531
N-(furan-2-ylmethyl)-9-methylpurin-6-amine
CID 221107
2-chloro-N-((furan-2-yl)methyl)-7H-purin-6-amine
CID 5037694
2-Methyl-6-(5-methyl-furan-2-yl)-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine
CID 10040233
2-Furan-2-yl-5-[4-(5-methyl-3H-imidazol-4-ylmethyl)-piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-ylamine
CID 11280440
2-[6-(benzylamino)purin-9-yl]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 44601522
5-Butyl-8-furan-2-yl-3H-[1,2,4]triazolo[5,1-i]purine
CID 135512738
4-[5-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)furan-2-yl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
CID 164615885
Furan-2-ylmethyl-(9-isopropyl-9H-purin-6-yl)-amine
CID 13698516
6-Furfurylamino-9-tetrahydrofuran-2-ylpurine
CID 53237485
2-chloro-N-(furan-2-ylmethyl)-9-(oxolan-2-yl)purin-6-amine
CID 126651310

Frequently Asked Questions

What is the IUPAC name of 2,8-dimethyl-N-[[5-[[6-[(5-methylfuran-2-yl)methylamino]-7H-purin-2-yl]methyl]furan-2-yl]methyl]-7H-purin-6-amine?
The IUPAC name of 2,8-dimethyl-N-[[5-[[6-[(5-methylfuran-2-yl)methylamino]-7H-purin-2-yl]methyl]furan-2-yl]methyl]-7H-purin-6-amine (CID 142507029) is 2,8-dimethyl-N-[[5-[[6-[(5-methylfuran-2-yl)methylamino]-7H-purin-2-yl]methyl]furan-2-yl]methyl]-7H-purin-6-amine.
What is the SMILES notation for 2,8-dimethyl-N-[[5-[[6-[(5-methylfuran-2-yl)methylamino]-7H-purin-2-yl]methyl]furan-2-yl]methyl]-7H-purin-6-amine?
The canonical SMILES for 2,8-dimethyl-N-[[5-[[6-[(5-methylfuran-2-yl)methylamino]-7H-purin-2-yl]methyl]furan-2-yl]methyl]-7H-purin-6-amine is Cc1nc(NCc2ccc(Cc3nc(NCc4ccc(C)o4)c4[nH]cnc4n3)o2)c2[nH]c(C)nc2n1.
What is the InChIKey of 2,8-dimethyl-N-[[5-[[6-[(5-methylfuran-2-yl)methylamino]-7H-purin-2-yl]methyl]furan-2-yl]methyl]-7H-purin-6-amine?
The InChIKey is MYJWWRLQEAXVMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N10O2/c1-12-4-5-16(35-12)9-25-21-19-22(28-11-27-19)34-18(33-21)8-15-6-7-17(36-15)10-26-23-20-24(31-13(2)29-20)32-14(3)30-23/h4-7,11H,8-10H2,1-3H3,(H2,25,27,28,33,34)(H2,26,29,30,31,32).
What are the key properties of 2,8-dimethyl-N-[[5-[[6-[(5-methylfuran-2-yl)methylamino]-7H-purin-2-yl]methyl]furan-2-yl]methyl]-7H-purin-6-amine?
2,8-dimethyl-N-[[5-[[6-[(5-methylfuran-2-yl)methylamino]-7H-purin-2-yl]methyl]furan-2-yl]methyl]-7H-purin-6-amine has a molecular weight of 484.52 g/mol, XLogP of 3.95, 8 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dimethyl-N-[[5-[[6-[(5-methylfuran-2-yl)methylamino]-7H-purin-2-yl]methyl]furan-2-yl]methyl]-7H-purin-6-amine is sourced from PubChem (CID 142507029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).