2-N-ethyl-6-N-methyl-6-N-(2-thiophen-2-ylethyl)-7H-purine-2,6-diamine

C14H18N6S — CID 114785619

IUPAC2-N-ethyl-6-N-methyl-6-N-(2-thiophen-2-ylethyl)-7H-purine-2,6-diamine
SMILESCCNc1nc(N(C)CCc2cccs2)c2[nH]cnc2n1
InChIInChI=1S/C14H18N6S/c1-3-15-14-18-12-11(16-9-17-12)13(19-14)20(2)7-6-10-5-4-8-21-10/h4-5,8-9H,3,6-7H2,1-2H3,(H2,15,16,17,18,19)
InChIKeyFQGUVPVXBKUPNT-UHFFFAOYSA-N
MW302.41 g/mol
LogP2.53
Rot. Bonds6

About 2-N-ethyl-6-N-methyl-6-N-(2-thiophen-2-ylethyl)-7H-purine-2,6-diamine

2-N-ethyl-6-N-methyl-6-N-(2-thiophen-2-ylethyl)-7H-purine-2,6-diamine (PubChem CID 114785619) has the molecular formula C14H18N6S and a molecular weight of 302.41 g/mol. Its IUPAC name is 2-N-ethyl-6-N-methyl-6-N-(2-thiophen-2-ylethyl)-7H-purine-2,6-diamine.

Molecular Properties

Compound Name2-N-ethyl-6-N-methyl-6-N-(2-thiophen-2-ylethyl)-7H-purine-2,6-diamine
PubChem CID114785619
Molecular FormulaC14H18N6S
Molecular Weight302.41 g/mol
Exact Mass302.13
IUPAC Name2-N-ethyl-6-N-methyl-6-N-(2-thiophen-2-ylethyl)-7H-purine-2,6-diamine
SMILESCCNc1nc(N(C)CCc2cccs2)c2[nH]cnc2n1
InChIInChI=1S/C14H18N6S/c1-3-15-14-18-12-11(16-9-17-12)13(19-14)20(2)7-6-10-5-4-8-21-10/h4-5,8-9H,3,6-7H2,1-2H3,(H2,15,16,17,18,19)
InChIKeyFQGUVPVXBKUPNT-UHFFFAOYSA-N
XLogP2.53
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.41
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-ethyl-6-N-methyl-6-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-7H-purine-2,6-diamine
CID 114785264
6-ethoxy-4-N-ethyl-2-N-methyl-2-N-(2-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine
CID 80837827
6-N,6-N-dibutyl-2-N-ethyl-7H-purine-2,6-diamine
CID 114783314
6-N-cyclopropyl-2-N-ethyl-6-N-methyl-7H-purine-2,6-diamine
CID 114783774
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
N-ethyl-4-methoxy-6-(2-thiophen-2-ylethoxy)-1,3,5-triazin-2-amine
CID 80873852
6-N-(cyclopropylmethyl)-6-N-methyl-2-N-propyl-7H-purine-2,6-diamine
CID 114784058
2-N-ethyl-5-fluoro-4-N-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
CID 80781911
6-N-ethyl-8-N-methyl-8-N-(2-thiophen-2-ylethyl)imidazo[1,2-a]pyrazine-6,8-diamine
CID 80836799
6-N-methyl-6-N-(2-methylbutyl)-2-N-propyl-7H-purine-2,6-diamine
CID 114783815
6-N-(furan-2-ylmethyl)-2-N,6-N-dimethyl-7H-purine-2,6-diamine
CID 114783888

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-6-N-methyl-6-N-(2-thiophen-2-ylethyl)-7H-purine-2,6-diamine?
The IUPAC name of 2-N-ethyl-6-N-methyl-6-N-(2-thiophen-2-ylethyl)-7H-purine-2,6-diamine (CID 114785619) is 2-N-ethyl-6-N-methyl-6-N-(2-thiophen-2-ylethyl)-7H-purine-2,6-diamine.
What is the SMILES notation for 2-N-ethyl-6-N-methyl-6-N-(2-thiophen-2-ylethyl)-7H-purine-2,6-diamine?
The canonical SMILES for 2-N-ethyl-6-N-methyl-6-N-(2-thiophen-2-ylethyl)-7H-purine-2,6-diamine is CCNc1nc(N(C)CCc2cccs2)c2[nH]cnc2n1.
What is the InChIKey of 2-N-ethyl-6-N-methyl-6-N-(2-thiophen-2-ylethyl)-7H-purine-2,6-diamine?
The InChIKey is FQGUVPVXBKUPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6S/c1-3-15-14-18-12-11(16-9-17-12)13(19-14)20(2)7-6-10-5-4-8-21-10/h4-5,8-9H,3,6-7H2,1-2H3,(H2,15,16,17,18,19).
What are the key properties of 2-N-ethyl-6-N-methyl-6-N-(2-thiophen-2-ylethyl)-7H-purine-2,6-diamine?
2-N-ethyl-6-N-methyl-6-N-(2-thiophen-2-ylethyl)-7H-purine-2,6-diamine has a molecular weight of 302.41 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-6-N-methyl-6-N-(2-thiophen-2-ylethyl)-7H-purine-2,6-diamine is sourced from PubChem (CID 114785619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).