2-N-ethyl-6-N-methyl-6-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-7H-purine-2,6-diamine

C13H17N7S — CID 114785264

IUPAC2-N-ethyl-6-N-methyl-6-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-7H-purine-2,6-diamine
SMILESCCNc1nc(N(C)Cc2scnc2C)c2[nH]cnc2n1
InChIInChI=1S/C13H17N7S/c1-4-14-13-18-11-10(15-6-16-11)12(19-13)20(3)5-9-8(2)17-7-21-9/h6-7H,4-5H2,1-3H3,(H2,14,15,16,18,19)
InChIKeyLEWVFJOALXMBEM-UHFFFAOYSA-N
MW303.40 g/mol
LogP2.19
Rot. Bonds5

About 2-N-ethyl-6-N-methyl-6-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-7H-purine-2,6-diamine

2-N-ethyl-6-N-methyl-6-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-7H-purine-2,6-diamine (PubChem CID 114785264) has the molecular formula C13H17N7S and a molecular weight of 303.40 g/mol. Its IUPAC name is 2-N-ethyl-6-N-methyl-6-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-7H-purine-2,6-diamine.

Molecular Properties

Compound Name2-N-ethyl-6-N-methyl-6-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-7H-purine-2,6-diamine
PubChem CID114785264
Molecular FormulaC13H17N7S
Molecular Weight303.40 g/mol
Exact Mass303.13
IUPAC Name2-N-ethyl-6-N-methyl-6-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-7H-purine-2,6-diamine
SMILESCCNc1nc(N(C)Cc2scnc2C)c2[nH]cnc2n1
InChIInChI=1S/C13H17N7S/c1-4-14-13-18-11-10(15-6-16-11)12(19-13)20(3)5-9-8(2)17-7-21-9/h6-7H,4-5H2,1-3H3,(H2,14,15,16,18,19)
InChIKeyLEWVFJOALXMBEM-UHFFFAOYSA-N
XLogP2.19
TPSA82.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-N-ethyl-6-N-methyl-6-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-7H-purine-2,6-diamine with MolForge

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Related Compounds

2-N-ethyl-4-N,5-dimethyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-diamine
CID 80839822
6-N-methyl-6-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-7H-purine-2,6-diamine
CID 134697238
6-N-cyclopropyl-2-N-ethyl-6-N-methyl-7H-purine-2,6-diamine
CID 114783774
2-[[2-(ethylamino)-7H-purin-6-yl]-methylamino]-N-propylacetamide
CID 114784196
6-N,6-N-dibutyl-2-N-ethyl-7H-purine-2,6-diamine
CID 114783314
6-N-methyl-6-N-(2-methylsulfanylethyl)-2-N-propyl-7H-purine-2,6-diamine
CID 114786012
2-[[2-(ethylamino)-7H-purin-6-yl]-propylamino]ethanol
CID 114784127
5-chloro-4-N-methyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-N-propylpyrimidine-2,4-diamine
CID 80838918
5-chloro-4-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]-1H-pyrimidin-6-one
CID 136971313
6-N-(cyclopropylmethyl)-6-N-methyl-2-N-propyl-7H-purine-2,6-diamine
CID 114784058
6-N-(2,2-dimethylpropyl)-2-N,6-N-dimethyl-7H-purine-2,6-diamine
CID 114784841
2-N-ethyl-6-N-methyl-6-N-(3-methylcyclohexyl)-7H-purine-2,6-diamine
CID 114784173

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-6-N-methyl-6-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-7H-purine-2,6-diamine?
The IUPAC name of 2-N-ethyl-6-N-methyl-6-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-7H-purine-2,6-diamine (CID 114785264) is 2-N-ethyl-6-N-methyl-6-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-7H-purine-2,6-diamine.
What is the SMILES notation for 2-N-ethyl-6-N-methyl-6-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-7H-purine-2,6-diamine?
The canonical SMILES for 2-N-ethyl-6-N-methyl-6-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-7H-purine-2,6-diamine is CCNc1nc(N(C)Cc2scnc2C)c2[nH]cnc2n1.
What is the InChIKey of 2-N-ethyl-6-N-methyl-6-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-7H-purine-2,6-diamine?
The InChIKey is LEWVFJOALXMBEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N7S/c1-4-14-13-18-11-10(15-6-16-11)12(19-13)20(3)5-9-8(2)17-7-21-9/h6-7H,4-5H2,1-3H3,(H2,14,15,16,18,19).
What are the key properties of 2-N-ethyl-6-N-methyl-6-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-7H-purine-2,6-diamine?
2-N-ethyl-6-N-methyl-6-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-7H-purine-2,6-diamine has a molecular weight of 303.40 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-6-N-methyl-6-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-7H-purine-2,6-diamine is sourced from PubChem (CID 114785264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).