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

C12H15N7S — CID 114785147

IUPAC2-N-ethyl-6-N-[2-(1,3-thiazol-2-yl)ethyl]-7H-purine-2,6-diamine
SMILESCCNc1nc(NCCc2nccs2)c2[nH]cnc2n1
InChIInChI=1S/C12H15N7S/c1-2-13-12-18-10(9-11(19-12)17-7-16-9)15-4-3-8-14-5-6-20-8/h5-7H,2-4H2,1H3,(H3,13,15,16,17,18,19)
InChIKeyWDNVEEWVQOWXBP-UHFFFAOYSA-N
MW289.37 g/mol
LogP1.90
Rot. Bonds6

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

2-N-ethyl-6-N-[2-(1,3-thiazol-2-yl)ethyl]-7H-purine-2,6-diamine (PubChem CID 114785147) has the molecular formula C12H15N7S and a molecular weight of 289.37 g/mol. Its IUPAC name is 2-N-ethyl-6-N-[2-(1,3-thiazol-2-yl)ethyl]-7H-purine-2,6-diamine.

Molecular Properties

Compound Name2-N-ethyl-6-N-[2-(1,3-thiazol-2-yl)ethyl]-7H-purine-2,6-diamine
PubChem CID114785147
Molecular FormulaC12H15N7S
Molecular Weight289.37 g/mol
Exact Mass289.11
IUPAC Name2-N-ethyl-6-N-[2-(1,3-thiazol-2-yl)ethyl]-7H-purine-2,6-diamine
SMILESCCNc1nc(NCCc2nccs2)c2[nH]cnc2n1
InChIInChI=1S/C12H15N7S/c1-2-13-12-18-10(9-11(19-12)17-7-16-9)15-4-3-8-14-5-6-20-8/h5-7H,2-4H2,1H3,(H3,13,15,16,17,18,19)
InChIKeyWDNVEEWVQOWXBP-UHFFFAOYSA-N
XLogP1.90
TPSA91.41 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-N-ethyl-6-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-7H-purine-2,6-diamine
CID 114785145
2-N-ethyl-6-N-(2-methylsulfonylethyl)-7H-purine-2,6-diamine
CID 114784046
N-[2-(1,3-thiazol-2-yl)ethyl]-7H-purin-6-amine
CID 49432029
2-N-ethyl-6-N-octyl-7H-purine-2,6-diamine
CID 114785797
2-N-ethyl-6-N-[2-(4-methoxyphenyl)ethyl]-7H-purine-2,6-diamine
CID 117085395
6-N-[2-(diethylamino)ethyl]-2-N-ethyl-7H-purine-2,6-diamine
CID 114783663
2-N,6-N-dipropyl-7H-purine-2,6-diamine
CID 114783634
2-N-ethyl-6-N-(3-methoxypropyl)-7H-purine-2,6-diamine
CID 114783752
2-N-ethyl-6-N-[2-(1-methylpyrazol-3-yl)ethyl]-7H-purine-2,6-diamine
CID 106106749
6-N-(3-butoxypropyl)-2-N-ethyl-7H-purine-2,6-diamine
CID 114786369
2-N-ethyl-6-N-(2,2,2-trifluoroethyl)-7H-purine-2,6-diamine
CID 114783696
2-N-ethyl-6-N-(2-ethylbutyl)-7H-purine-2,6-diamine
CID 114786528

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-6-N-[2-(1,3-thiazol-2-yl)ethyl]-7H-purine-2,6-diamine?
The IUPAC name of 2-N-ethyl-6-N-[2-(1,3-thiazol-2-yl)ethyl]-7H-purine-2,6-diamine (CID 114785147) is 2-N-ethyl-6-N-[2-(1,3-thiazol-2-yl)ethyl]-7H-purine-2,6-diamine.
What is the SMILES notation for 2-N-ethyl-6-N-[2-(1,3-thiazol-2-yl)ethyl]-7H-purine-2,6-diamine?
The canonical SMILES for 2-N-ethyl-6-N-[2-(1,3-thiazol-2-yl)ethyl]-7H-purine-2,6-diamine is CCNc1nc(NCCc2nccs2)c2[nH]cnc2n1.
What is the InChIKey of 2-N-ethyl-6-N-[2-(1,3-thiazol-2-yl)ethyl]-7H-purine-2,6-diamine?
The InChIKey is WDNVEEWVQOWXBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N7S/c1-2-13-12-18-10(9-11(19-12)17-7-16-9)15-4-3-8-14-5-6-20-8/h5-7H,2-4H2,1H3,(H3,13,15,16,17,18,19).
What are the key properties of 2-N-ethyl-6-N-[2-(1,3-thiazol-2-yl)ethyl]-7H-purine-2,6-diamine?
2-N-ethyl-6-N-[2-(1,3-thiazol-2-yl)ethyl]-7H-purine-2,6-diamine has a molecular weight of 289.37 g/mol, XLogP of 1.90, 6 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-[2-(1,3-thiazol-2-yl)ethyl]-7H-purine-2,6-diamine is sourced from PubChem (CID 114785147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).