2-[[2-(ethylamino)-7H-purin-6-yl]amino]-N-(2-methylpropyl)acetamide

C13H21N7O — CID 114786088

IUPAC2-[[2-(ethylamino)-7H-purin-6-yl]amino]-N-(2-methylpropyl)acetamide
SMILESCCNc1nc(NCC(=O)NCC(C)C)c2[nH]cnc2n1
InChIInChI=1S/C13H21N7O/c1-4-14-13-19-11(10-12(20-13)18-7-17-10)16-6-9(21)15-5-8(2)3/h7-8H,4-6H2,1-3H3,(H,15,21)(H3,14,16,17,18,19,20)
InChIKeyYIMJNBSCOIKPKR-UHFFFAOYSA-N
MW291.36 g/mol
LogP0.97
Rot. Bonds7

About 2-[[2-(ethylamino)-7H-purin-6-yl]amino]-N-(2-methylpropyl)acetamide

2-[[2-(ethylamino)-7H-purin-6-yl]amino]-N-(2-methylpropyl)acetamide (PubChem CID 114786088) 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]amino]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[[2-(ethylamino)-7H-purin-6-yl]amino]-N-(2-methylpropyl)acetamide
PubChem CID114786088
Molecular FormulaC13H21N7O
Molecular Weight291.36 g/mol
Exact Mass291.18
IUPAC Name2-[[2-(ethylamino)-7H-purin-6-yl]amino]-N-(2-methylpropyl)acetamide
SMILESCCNc1nc(NCC(=O)NCC(C)C)c2[nH]cnc2n1
InChIInChI=1S/C13H21N7O/c1-4-14-13-19-11(10-12(20-13)18-7-17-10)16-6-9(21)15-5-8(2)3/h7-8H,4-6H2,1-3H3,(H,15,21)(H3,14,16,17,18,19,20)
InChIKeyYIMJNBSCOIKPKR-UHFFFAOYSA-N
XLogP0.97
TPSA107.62 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 50.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(ethylamino)-7H-purin-6-yl]amino]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[[2-(ethylamino)-7H-purin-6-yl]amino]-N-(2-methylpropyl)acetamide (CID 114786088) is 2-[[2-(ethylamino)-7H-purin-6-yl]amino]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[[2-(ethylamino)-7H-purin-6-yl]amino]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[[2-(ethylamino)-7H-purin-6-yl]amino]-N-(2-methylpropyl)acetamide is CCNc1nc(NCC(=O)NCC(C)C)c2[nH]cnc2n1.
What is the InChIKey of 2-[[2-(ethylamino)-7H-purin-6-yl]amino]-N-(2-methylpropyl)acetamide?
The InChIKey is YIMJNBSCOIKPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N7O/c1-4-14-13-19-11(10-12(20-13)18-7-17-10)16-6-9(21)15-5-8(2)3/h7-8H,4-6H2,1-3H3,(H,15,21)(H3,14,16,17,18,19,20).
What are the key properties of 2-[[2-(ethylamino)-7H-purin-6-yl]amino]-N-(2-methylpropyl)acetamide?
2-[[2-(ethylamino)-7H-purin-6-yl]amino]-N-(2-methylpropyl)acetamide has a molecular weight of 291.36 g/mol, XLogP of 0.97, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(ethylamino)-7H-purin-6-yl]amino]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 114786088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).