N-(1,3-oxazol-4-ylmethyl)-7H-purin-6-amine;N-(1,3-oxazol-5-ylmethyl)-7H-purin-6-amine;N-(thiophen-2-ylmethyl)-7H-purin-6-amine;N-(1H-1,2,4-triazol-5-ylmethyl)-7H-purin-6-amine;N-(2H-triazol-4-ylmethyl)-7H-purin-6-amine

C44H41N33O2S — CID 159313290

IUPACN-(1,3-oxazol-4-ylmethyl)-7H-purin-6-amine;N-(1,3-oxazol-5-ylmethyl)-7H-purin-6-amine;N-(thiophen-2-ylmethyl)-7H-purin-6-amine;N-(1H-1,2,4-triazol-5-ylmethyl)-7H-purin-6-amine;N-(2H-triazol-4-ylmethyl)-7H-purin-6-amine
SMILESc1csc(CNc2ncnc3nc[nH]c23)c1.c1n[nH]c(CNc2ncnc3nc[nH]c23)n1.c1nc(NCc2cn[nH]n2)c2[nH]cnc2n1.c1nc(NCc2cnco2)c2[nH]cnc2n1.c1nc(NCc2cocn2)c2[nH]cnc2n1
InChIInChI=1S/C10H9N5S.2C9H8N6O.2C8H8N8/c1-2-7(16-3-1)4-11-9-8-10(13-5-12-8)15-6-14-9;1(6-2-16-5-15-6)10-8-7-9(12-3-11-7)14-4-13-8;1-6(16-5-10-1)2-11-8-7-9(13-3-12-7)15-4-14-8;1(5-10-4-15-16-5)9-7-6-8(12-2-11-6)14-3-13-7;1(5-2-14-16-15-5)9-7-6-8(11-3-10-6)13-4-12-7/h1-3,5-6H,4H2,(H2,11,12,13,14,15);2-5H,1H2,(H2,10,11,12,13,14);1,3-5H,2H2,(H2,11,12,13,14,15);2-4H,1H2,(H,10,15,16)(H2,9,11,12,13,14);2-4H,1H2,(H,14,15,16)(H2,9,10,11,12,13)
InChIKeyLCUXNXYSSBPZBJ-UHFFFAOYSA-N
MW1096.11 g/mol
LogP4.10
Rot. Bonds15

About N-(1,3-oxazol-4-ylmethyl)-7H-purin-6-amine;N-(1,3-oxazol-5-ylmethyl)-7H-purin-6-amine;N-(thiophen-2-ylmethyl)-7H-purin-6-amine;N-(1H-1,2,4-triazol-5-ylmethyl)-7H-purin-6-amine;N-(2H-triazol-4-ylmethyl)-7H-purin-6-amine

N-(1,3-oxazol-4-ylmethyl)-7H-purin-6-amine;N-(1,3-oxazol-5-ylmethyl)-7H-purin-6-amine;N-(thiophen-2-ylmethyl)-7H-purin-6-amine;N-(1H-1,2,4-triazol-5-ylmethyl)-7H-purin-6-amine;N-(2H-triazol-4-ylmethyl)-7H-purin-6-amine (PubChem CID 159313290) has the molecular formula C44H41N33O2S and a molecular weight of 1096.11 g/mol. Its IUPAC name is N-(1,3-oxazol-4-ylmethyl)-7H-purin-6-amine;N-(1,3-oxazol-5-ylmethyl)-7H-purin-6-amine;N-(thiophen-2-ylmethyl)-7H-purin-6-amine;N-(1H-1,2,4-triazol-5-ylmethyl)-7H-purin-6-amine;N-(2H-triazol-4-ylmethyl)-7H-purin-6-amine.

Molecular Properties

Compound NameN-(1,3-oxazol-4-ylmethyl)-7H-purin-6-amine;N-(1,3-oxazol-5-ylmethyl)-7H-purin-6-amine;N-(thiophen-2-ylmethyl)-7H-purin-6-amine;N-(1H-1,2,4-triazol-5-ylmethyl)-7H-purin-6-amine;N-(2H-triazol-4-ylmethyl)-7H-purin-6-amine
PubChem CID159313290
Molecular FormulaC44H41N33O2S
Molecular Weight1096.11 g/mol
Exact Mass1095.38
IUPAC NameN-(1,3-oxazol-4-ylmethyl)-7H-purin-6-amine;N-(1,3-oxazol-5-ylmethyl)-7H-purin-6-amine;N-(thiophen-2-ylmethyl)-7H-purin-6-amine;N-(1H-1,2,4-triazol-5-ylmethyl)-7H-purin-6-amine;N-(2H-triazol-4-ylmethyl)-7H-purin-6-amine
SMILESc1csc(CNc2ncnc3nc[nH]c23)c1.c1n[nH]c(CNc2ncnc3nc[nH]c23)n1.c1nc(NCc2cn[nH]n2)c2[nH]cnc2n1.c1nc(NCc2cnco2)c2[nH]cnc2n1.c1nc(NCc2cocn2)c2[nH]cnc2n1
InChIInChI=1S/C10H9N5S.2C9H8N6O.2C8H8N8/c1-2-7(16-3-1)4-11-9-8-10(13-5-12-8)15-6-14-9;1(6-2-16-5-15-6)10-8-7-9(12-3-11-7)14-4-13-8;1-6(16-5-10-1)2-11-8-7-9(13-3-12-7)15-4-14-8;1(5-10-4-15-16-5)9-7-6-8(12-2-11-6)14-3-13-7;1(5-2-14-16-15-5)9-7-6-8(11-3-10-6)13-4-12-7/h1-3,5-6H,4H2,(H2,11,12,13,14,15);2-5H,1H2,(H2,10,11,12,13,14);1,3-5H,2H2,(H2,11,12,13,14,15);2-4H,1H2,(H,10,15,16)(H2,9,11,12,13,14);2-4H,1H2,(H,14,15,16)(H2,9,10,11,12,13)
InChIKeyLCUXNXYSSBPZBJ-UHFFFAOYSA-N
XLogP4.10
TPSA467.65 Ų
H-Bond Donors12
H-Bond Acceptors29
Rotatable Bonds15
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001096.11
LogP ≤ 54.10
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1029

Analyze N-(1,3-oxazol-4-ylmethyl)-7H-purin-6-amine;N-(1,3-oxazol-5-ylmethyl)-7H-purin-6-amine;N-(thiophen-2-ylmethyl)-7H-purin-6-amine;N-(1H-1,2,4-triazol-5-ylmethyl)-7H-purin-6-amine;N-(2H-triazol-4-ylmethyl)-7H-purin-6-amine with MolForge

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Launch Full Analysis

Related Compounds

2-[2-(1H-benzimidazol-2-yl)-8-(1,3-benzothiazol-2-yl)-4-(1H-imidazol-2-yl)-1-pyrazin-2-yl-9-(1H-pyrazol-5-yl)-6-pyridazin-3-yl-3-pyrimidin-2-ylpurin-2-yl]-1,3-oxazole
CID 141157870
1,5-dimethyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;3,5-dimethyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;1,3-dimethyl-2-propan-2-yl-4,5-dihydroimidazol-1-ium;1-methyl-2-propan-2-yl-4,5-dihydroimidazole;5-methyl-2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;1-methyl-2-propan-2-yl-5,6-dihydro-4H-pyrimidine;5-methyl-2-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine;1-methyl-2-propan-2-ylimidazole;bis(5-methyl-2-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine);2-propan-2-yl-4,5-dihydro-1H-imidazole;2-propan-2-yl-4,5-dihydro-1,3-oxazole;bis(2-propan-2-yl-1H-imidazo[4,5-b]pyridine);bis(2-propan-2-yl-3H-imidazo[4,5-c]pyridine);2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole
CID 158247517
tert-butylbenzene;2-tert-butylpyrazine;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;octakis(2,2-dimethylpropane);1H-imidazole;1,3-oxazole;bis(1H-pyrazolo[3,4-d]pyrimidine);pyridine;2H-pyrrole;1,3-thiazole;[1,3]thiazolo[5,4-b]pyridine
CID 158844995
tert-butylbenzene;2-tert-butylpyrazine;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;cyclopenta-1,3-diene;heptakis(2,2-dimethylpropane);ethane;1H-imidazole;2-methylpropane;1,3-oxazole;bis(1H-pyrazolo[3,4-d]pyrimidine);pyridine;3H-pyrrolo[3,2-b]pyridine;1,3-thiazole
CID 161460015
benzene;1H-imidazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridine;pyrimidine;1H-pyrrole;thiophene;1H-1,2,4-triazole;2H-triazole
CID 167676776

Frequently Asked Questions

What is the IUPAC name of N-(1,3-oxazol-4-ylmethyl)-7H-purin-6-amine;N-(1,3-oxazol-5-ylmethyl)-7H-purin-6-amine;N-(thiophen-2-ylmethyl)-7H-purin-6-amine;N-(1H-1,2,4-triazol-5-ylmethyl)-7H-purin-6-amine;N-(2H-triazol-4-ylmethyl)-7H-purin-6-amine?
The IUPAC name of N-(1,3-oxazol-4-ylmethyl)-7H-purin-6-amine;N-(1,3-oxazol-5-ylmethyl)-7H-purin-6-amine;N-(thiophen-2-ylmethyl)-7H-purin-6-amine;N-(1H-1,2,4-triazol-5-ylmethyl)-7H-purin-6-amine;N-(2H-triazol-4-ylmethyl)-7H-purin-6-amine (CID 159313290) is N-(1,3-oxazol-4-ylmethyl)-7H-purin-6-amine;N-(1,3-oxazol-5-ylmethyl)-7H-purin-6-amine;N-(thiophen-2-ylmethyl)-7H-purin-6-amine;N-(1H-1,2,4-triazol-5-ylmethyl)-7H-purin-6-amine;N-(2H-triazol-4-ylmethyl)-7H-purin-6-amine.
What is the SMILES notation for N-(1,3-oxazol-4-ylmethyl)-7H-purin-6-amine;N-(1,3-oxazol-5-ylmethyl)-7H-purin-6-amine;N-(thiophen-2-ylmethyl)-7H-purin-6-amine;N-(1H-1,2,4-triazol-5-ylmethyl)-7H-purin-6-amine;N-(2H-triazol-4-ylmethyl)-7H-purin-6-amine?
The canonical SMILES for N-(1,3-oxazol-4-ylmethyl)-7H-purin-6-amine;N-(1,3-oxazol-5-ylmethyl)-7H-purin-6-amine;N-(thiophen-2-ylmethyl)-7H-purin-6-amine;N-(1H-1,2,4-triazol-5-ylmethyl)-7H-purin-6-amine;N-(2H-triazol-4-ylmethyl)-7H-purin-6-amine is c1csc(CNc2ncnc3nc[nH]c23)c1.c1n[nH]c(CNc2ncnc3nc[nH]c23)n1.c1nc(NCc2cn[nH]n2)c2[nH]cnc2n1.c1nc(NCc2cnco2)c2[nH]cnc2n1.c1nc(NCc2cocn2)c2[nH]cnc2n1.
What is the InChIKey of N-(1,3-oxazol-4-ylmethyl)-7H-purin-6-amine;N-(1,3-oxazol-5-ylmethyl)-7H-purin-6-amine;N-(thiophen-2-ylmethyl)-7H-purin-6-amine;N-(1H-1,2,4-triazol-5-ylmethyl)-7H-purin-6-amine;N-(2H-triazol-4-ylmethyl)-7H-purin-6-amine?
The InChIKey is LCUXNXYSSBPZBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5S.2C9H8N6O.2C8H8N8/c1-2-7(16-3-1)4-11-9-8-10(13-5-12-8)15-6-14-9;1(6-2-16-5-15-6)10-8-7-9(12-3-11-7)14-4-13-8;1-6(16-5-10-1)2-11-8-7-9(13-3-12-7)15-4-14-8;1(5-10-4-15-16-5)9-7-6-8(12-2-11-6)14-3-13-7;1(5-2-14-16-15-5)9-7-6-8(11-3-10-6)13-4-12-7/h1-3,5-6H,4H2,(H2,11,12,13,14,15);2-5H,1H2,(H2,10,11,12,13,14);1,3-5H,2H2,(H2,11,12,13,14,15);2-4H,1H2,(H,10,15,16)(H2,9,11,12,13,14);2-4H,1H2,(H,14,15,16)(H2,9,10,11,12,13).
What are the key properties of N-(1,3-oxazol-4-ylmethyl)-7H-purin-6-amine;N-(1,3-oxazol-5-ylmethyl)-7H-purin-6-amine;N-(thiophen-2-ylmethyl)-7H-purin-6-amine;N-(1H-1,2,4-triazol-5-ylmethyl)-7H-purin-6-amine;N-(2H-triazol-4-ylmethyl)-7H-purin-6-amine?
N-(1,3-oxazol-4-ylmethyl)-7H-purin-6-amine;N-(1,3-oxazol-5-ylmethyl)-7H-purin-6-amine;N-(thiophen-2-ylmethyl)-7H-purin-6-amine;N-(1H-1,2,4-triazol-5-ylmethyl)-7H-purin-6-amine;N-(2H-triazol-4-ylmethyl)-7H-purin-6-amine has a molecular weight of 1096.11 g/mol, XLogP of 4.10, 15 rotatable bonds, 12 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-oxazol-4-ylmethyl)-7H-purin-6-amine;N-(1,3-oxazol-5-ylmethyl)-7H-purin-6-amine;N-(thiophen-2-ylmethyl)-7H-purin-6-amine;N-(1H-1,2,4-triazol-5-ylmethyl)-7H-purin-6-amine;N-(2H-triazol-4-ylmethyl)-7H-purin-6-amine is sourced from PubChem (CID 159313290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).