2-N-ethyl-6-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-7H-purine-2,6-diamine

C13H17N7S — CID 114785145

IUPAC2-N-ethyl-6-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-7H-purine-2,6-diamine
SMILESCCNc1nc(NCCc2nc(C)cs2)c2[nH]cnc2n1
InChIInChI=1S/C13H17N7S/c1-3-14-13-19-11(10-12(20-13)17-7-16-10)15-5-4-9-18-8(2)6-21-9/h6-7H,3-5H2,1-2H3,(H3,14,15,16,17,19,20)
InChIKeyUNDMSTJWXJMIBI-UHFFFAOYSA-N
MW303.40 g/mol
LogP2.20
Rot. Bonds6

About 2-N-ethyl-6-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-7H-purine-2,6-diamine

2-N-ethyl-6-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-7H-purine-2,6-diamine (PubChem CID 114785145) has the molecular formula C13H17N7S and a molecular weight of 303.40 g/mol. Its IUPAC name is 2-N-ethyl-6-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-7H-purine-2,6-diamine.

Molecular Properties

Compound Name2-N-ethyl-6-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-7H-purine-2,6-diamine
PubChem CID114785145
Molecular FormulaC13H17N7S
Molecular Weight303.40 g/mol
Exact Mass303.13
IUPAC Name2-N-ethyl-6-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-7H-purine-2,6-diamine
SMILESCCNc1nc(NCCc2nc(C)cs2)c2[nH]cnc2n1
InChIInChI=1S/C13H17N7S/c1-3-14-13-19-11(10-12(20-13)17-7-16-10)15-5-4-9-18-8(2)6-21-9/h6-7H,3-5H2,1-2H3,(H3,14,15,16,17,19,20)
InChIKeyUNDMSTJWXJMIBI-UHFFFAOYSA-N
XLogP2.20
TPSA91.41 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-N-ethyl-6-N-[2-(1,3-thiazol-2-yl)ethyl]-7H-purine-2,6-diamine
CID 114785147
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
2-N-ethyl-6-N-(2-methylsulfonylethyl)-7H-purine-2,6-diamine
CID 114784046
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-[(4-methyl-1,3-thiazol-2-yl)methyl]-7H-purine-2,6-diamine
CID 114784347
6-N-(3-butoxypropyl)-2-N-ethyl-7H-purine-2,6-diamine
CID 114786369
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

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-6-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-7H-purine-2,6-diamine?
The IUPAC name of 2-N-ethyl-6-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-7H-purine-2,6-diamine (CID 114785145) is 2-N-ethyl-6-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-7H-purine-2,6-diamine.
What is the SMILES notation for 2-N-ethyl-6-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-7H-purine-2,6-diamine?
The canonical SMILES for 2-N-ethyl-6-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-7H-purine-2,6-diamine is CCNc1nc(NCCc2nc(C)cs2)c2[nH]cnc2n1.
What is the InChIKey of 2-N-ethyl-6-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-7H-purine-2,6-diamine?
The InChIKey is UNDMSTJWXJMIBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N7S/c1-3-14-13-19-11(10-12(20-13)17-7-16-10)15-5-4-9-18-8(2)6-21-9/h6-7H,3-5H2,1-2H3,(H3,14,15,16,17,19,20).
What are the key properties of 2-N-ethyl-6-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-7H-purine-2,6-diamine?
2-N-ethyl-6-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-7H-purine-2,6-diamine has a molecular weight of 303.40 g/mol, XLogP of 2.20, 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-(4-methyl-1,3-thiazol-2-yl)ethyl]-7H-purine-2,6-diamine is sourced from PubChem (CID 114785145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).