2-[[2-(ethylamino)-7H-purin-6-yl]-methylamino]-N-propylacetamide

C13H21N7O — CID 114784196

IUPAC2-[[2-(ethylamino)-7H-purin-6-yl]-methylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)c1nc(NCC)nc2nc[nH]c12
InChIInChI=1S/C13H21N7O/c1-4-6-15-9(21)7-20(3)12-10-11(17-8-16-10)18-13(19-12)14-5-2/h8H,4-7H2,1-3H3,(H,15,21)(H2,14,16,17,18,19)
InChIKeyDWRXHQKLJSDYHA-UHFFFAOYSA-N
MW291.36 g/mol
LogP0.75
Rot. Bonds7

About 2-[[2-(ethylamino)-7H-purin-6-yl]-methylamino]-N-propylacetamide

2-[[2-(ethylamino)-7H-purin-6-yl]-methylamino]-N-propylacetamide (PubChem CID 114784196) has the molecular formula C13H21N7O and a molecular weight of 291.36 g/mol. Its IUPAC name is 2-[[2-(ethylamino)-7H-purin-6-yl]-methylamino]-N-propylacetamide.

Molecular Properties

Compound Name2-[[2-(ethylamino)-7H-purin-6-yl]-methylamino]-N-propylacetamide
PubChem CID114784196
Molecular FormulaC13H21N7O
Molecular Weight291.36 g/mol
Exact Mass291.18
IUPAC Name2-[[2-(ethylamino)-7H-purin-6-yl]-methylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)c1nc(NCC)nc2nc[nH]c12
InChIInChI=1S/C13H21N7O/c1-4-6-15-9(21)7-20(3)12-10-11(17-8-16-10)18-13(19-12)14-5-2/h8H,4-7H2,1-3H3,(H,15,21)(H2,14,16,17,18,19)
InChIKeyDWRXHQKLJSDYHA-UHFFFAOYSA-N
XLogP0.75
TPSA98.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-N-methyl-6-N-(2-methylbutyl)-2-N-propyl-7H-purine-2,6-diamine
CID 114783815
6-N-(cyclopropylmethyl)-6-N-methyl-2-N-propyl-7H-purine-2,6-diamine
CID 114784058
6-N-methyl-6-N-(2-methylsulfanylethyl)-2-N-propyl-7H-purine-2,6-diamine
CID 114786012
6-N,6-N-dibutyl-2-N-ethyl-7H-purine-2,6-diamine
CID 114783314
2-[[2-(ethylamino)-7H-purin-6-yl]-propylamino]ethanol
CID 114784127
6-N-cyclopropyl-2-N-ethyl-6-N-methyl-7H-purine-2,6-diamine
CID 114783774
2-N-ethyl-6-N-methyl-6-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-7H-purine-2,6-diamine
CID 114785264
2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-methylamino]-N-propylacetamide
CID 80808415
2-[[5-bromo-2-(propylamino)pyrimidin-4-yl]-methylamino]-N-ethylacetamide
CID 80805220
2-N-ethyl-6-N-methyl-6-N-(2-thiophen-2-ylethyl)-7H-purine-2,6-diamine
CID 114785619
N-(2-amino-2-ethylbutyl)-2-[methyl(7H-purin-6-yl)amino]acetamide
CID 119643710
6-N-(2-methylpropyl)-6-N-propan-2-yl-2-N-propyl-7H-purine-2,6-diamine
CID 114784631

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(ethylamino)-7H-purin-6-yl]-methylamino]-N-propylacetamide?
The IUPAC name of 2-[[2-(ethylamino)-7H-purin-6-yl]-methylamino]-N-propylacetamide (CID 114784196) is 2-[[2-(ethylamino)-7H-purin-6-yl]-methylamino]-N-propylacetamide.
What is the SMILES notation for 2-[[2-(ethylamino)-7H-purin-6-yl]-methylamino]-N-propylacetamide?
The canonical SMILES for 2-[[2-(ethylamino)-7H-purin-6-yl]-methylamino]-N-propylacetamide is CCCNC(=O)CN(C)c1nc(NCC)nc2nc[nH]c12.
What is the InChIKey of 2-[[2-(ethylamino)-7H-purin-6-yl]-methylamino]-N-propylacetamide?
The InChIKey is DWRXHQKLJSDYHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N7O/c1-4-6-15-9(21)7-20(3)12-10-11(17-8-16-10)18-13(19-12)14-5-2/h8H,4-7H2,1-3H3,(H,15,21)(H2,14,16,17,18,19).
What are the key properties of 2-[[2-(ethylamino)-7H-purin-6-yl]-methylamino]-N-propylacetamide?
2-[[2-(ethylamino)-7H-purin-6-yl]-methylamino]-N-propylacetamide has a molecular weight of 291.36 g/mol, XLogP of 0.75, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(ethylamino)-7H-purin-6-yl]-methylamino]-N-propylacetamide is sourced from PubChem (CID 114784196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).