2-N-ethyl-6-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-7H-purine-2,6-diamine

C13H17N7S — CID 114786059

IUPAC2-N-ethyl-6-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-7H-purine-2,6-diamine
SMILESCCNc1nc(NC(C)c2ncc(C)s2)c2[nH]cnc2n1
InChIInChI=1S/C13H17N7S/c1-4-14-13-19-10-9(16-6-17-10)11(20-13)18-8(3)12-15-5-7(2)21-12/h5-6,8H,4H2,1-3H3,(H3,14,16,17,18,19,20)
InChIKeyVPIRUPXHMCDKHK-UHFFFAOYSA-N
MW303.40 g/mol
LogP2.72
Rot. Bonds5

About 2-N-ethyl-6-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-7H-purine-2,6-diamine

2-N-ethyl-6-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-7H-purine-2,6-diamine (PubChem CID 114786059) has the molecular formula C13H17N7S and a molecular weight of 303.40 g/mol. Its IUPAC name is 2-N-ethyl-6-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-7H-purine-2,6-diamine.

Molecular Properties

Compound Name2-N-ethyl-6-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-7H-purine-2,6-diamine
PubChem CID114786059
Molecular FormulaC13H17N7S
Molecular Weight303.40 g/mol
Exact Mass303.13
IUPAC Name2-N-ethyl-6-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-7H-purine-2,6-diamine
SMILESCCNc1nc(NC(C)c2ncc(C)s2)c2[nH]cnc2n1
InChIInChI=1S/C13H17N7S/c1-4-14-13-19-10-9(16-6-17-10)11(20-13)18-8(3)12-15-5-7(2)21-12/h5-6,8H,4H2,1-3H3,(H3,14,16,17,18,19,20)
InChIKeyVPIRUPXHMCDKHK-UHFFFAOYSA-N
XLogP2.72
TPSA91.41 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-N-methyl-6-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-7H-purine-2,6-diamine
CID 114786061
2-[[2-(ethylamino)-7H-purin-6-yl]amino]-3-methylbutan-1-ol
CID 114785590
(2S)-2-[[2-(ethylamino)-7H-purin-6-yl]amino]-3-methylbutan-1-ol
CID 114986392
2-N-ethyl-6-N-(1-methoxybutan-2-yl)-7H-purine-2,6-diamine
CID 114785349
2-N-ethyl-6-N-(2-ethylbutyl)-7H-purine-2,6-diamine
CID 114786528
2-N-ethyl-6-N-(4-methylphenyl)-7H-purine-2,6-diamine
CID 114783532
2-N-ethyl-6-N-(2-methyl-3-methylsulfanylpropyl)-7H-purine-2,6-diamine
CID 114785289
2-N-ethyl-6-N-[(5-methylpyrazin-2-yl)methyl]-7H-purine-2,6-diamine
CID 114785046
2-N-ethyl-6-N-(2,2,2-trifluoroethyl)-7H-purine-2,6-diamine
CID 114783696
2-N-ethyl-6-N-(4-fluorophenyl)-7H-purine-2,6-diamine
CID 114783490
2-N-ethyl-6-N-octyl-7H-purine-2,6-diamine
CID 114785797
2-N-ethyl-6-N-(2-methylpentan-2-yl)-7H-purine-2,6-diamine
CID 114786320

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-6-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-7H-purine-2,6-diamine?
The IUPAC name of 2-N-ethyl-6-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-7H-purine-2,6-diamine (CID 114786059) is 2-N-ethyl-6-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-7H-purine-2,6-diamine.
What is the SMILES notation for 2-N-ethyl-6-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-7H-purine-2,6-diamine?
The canonical SMILES for 2-N-ethyl-6-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-7H-purine-2,6-diamine is CCNc1nc(NC(C)c2ncc(C)s2)c2[nH]cnc2n1.
What is the InChIKey of 2-N-ethyl-6-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-7H-purine-2,6-diamine?
The InChIKey is VPIRUPXHMCDKHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N7S/c1-4-14-13-19-10-9(16-6-17-10)11(20-13)18-8(3)12-15-5-7(2)21-12/h5-6,8H,4H2,1-3H3,(H3,14,16,17,18,19,20).
What are the key properties of 2-N-ethyl-6-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-7H-purine-2,6-diamine?
2-N-ethyl-6-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-7H-purine-2,6-diamine has a molecular weight of 303.40 g/mol, XLogP of 2.72, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-6-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-7H-purine-2,6-diamine is sourced from PubChem (CID 114786059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).