N-(2-amino-2-ethylbutyl)-2-[methyl(7H-purin-6-yl)amino]acetamide

C14H23N7O — CID 119643710

IUPACN-(2-amino-2-ethylbutyl)-2-[methyl(7H-purin-6-yl)amino]acetamide
SMILESCCC(N)(CC)CNC(=O)CN(C)c1ncnc2nc[nH]c12
InChIInChI=1S/C14H23N7O/c1-4-14(15,5-2)7-16-10(22)6-21(3)13-11-12(18-8-17-11)19-9-20-13/h8-9H,4-7,15H2,1-3H3,(H,16,22)(H,17,18,19,20)
InChIKeyBJSLAYMKYVZBBN-UHFFFAOYSA-N
MW305.39 g/mol
LogP0.42
Rot. Bonds7

About N-(2-amino-2-ethylbutyl)-2-[methyl(7H-purin-6-yl)amino]acetamide

N-(2-amino-2-ethylbutyl)-2-[methyl(7H-purin-6-yl)amino]acetamide (PubChem CID 119643710) has the molecular formula C14H23N7O and a molecular weight of 305.39 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-2-[methyl(7H-purin-6-yl)amino]acetamide.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-2-[methyl(7H-purin-6-yl)amino]acetamide
PubChem CID119643710
Molecular FormulaC14H23N7O
Molecular Weight305.39 g/mol
Exact Mass305.20
IUPAC NameN-(2-amino-2-ethylbutyl)-2-[methyl(7H-purin-6-yl)amino]acetamide
SMILESCCC(N)(CC)CNC(=O)CN(C)c1ncnc2nc[nH]c12
InChIInChI=1S/C14H23N7O/c1-4-14(15,5-2)7-16-10(22)6-21(3)13-11-12(18-8-17-11)19-9-20-13/h8-9H,4-7,15H2,1-3H3,(H,16,22)(H,17,18,19,20)
InChIKeyBJSLAYMKYVZBBN-UHFFFAOYSA-N
XLogP0.42
TPSA112.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.39
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-[methyl(7H-purin-6-yl)amino]acetamide
CID 75479759
N-[2-(cycloheptylamino)ethyl]-2-[methyl(7H-purin-6-yl)amino]acetamide
CID 119621339
2-[methyl(7H-purin-6-yl)amino]-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 75479562
N-(1-aminohexan-2-yl)-2-[methyl(7H-purin-6-yl)amino]acetamide;dihydrochloride
CID 119668576
2-[methyl(7H-purin-6-yl)amino]-N-(5-methyl-2-pyridinyl)acetamide
CID 167835478
N-(2,6-difluorophenyl)-2-[methyl(7H-purin-6-yl)amino]acetamide
CID 154748178
N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-[methyl(7H-purin-6-yl)amino]acetamide
CID 166409827
N-(2-benzylsulfanylethyl)-2-[methyl(7H-purin-6-yl)amino]acetamide
CID 51113708
3-[methyl-[2-[methyl(7H-purin-6-yl)amino]acetyl]amino]propanoic acid
CID 119362648
2-[methyl(7H-purin-6-yl)amino]-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 94078674
2-[methyl(7H-purin-6-yl)amino]-N-[[(1S,2S)-2-phenylcyclopropyl]methyl]acetamide
CID 97212185
N-[2-(3-methoxyphenyl)ethyl]-2-[methyl(7H-purin-6-yl)amino]acetamide
CID 75479729

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-2-[methyl(7H-purin-6-yl)amino]acetamide?
The IUPAC name of N-(2-amino-2-ethylbutyl)-2-[methyl(7H-purin-6-yl)amino]acetamide (CID 119643710) is N-(2-amino-2-ethylbutyl)-2-[methyl(7H-purin-6-yl)amino]acetamide.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-2-[methyl(7H-purin-6-yl)amino]acetamide?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-2-[methyl(7H-purin-6-yl)amino]acetamide is CCC(N)(CC)CNC(=O)CN(C)c1ncnc2nc[nH]c12.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-2-[methyl(7H-purin-6-yl)amino]acetamide?
The InChIKey is BJSLAYMKYVZBBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N7O/c1-4-14(15,5-2)7-16-10(22)6-21(3)13-11-12(18-8-17-11)19-9-20-13/h8-9H,4-7,15H2,1-3H3,(H,16,22)(H,17,18,19,20).
What are the key properties of N-(2-amino-2-ethylbutyl)-2-[methyl(7H-purin-6-yl)amino]acetamide?
N-(2-amino-2-ethylbutyl)-2-[methyl(7H-purin-6-yl)amino]acetamide has a molecular weight of 305.39 g/mol, XLogP of 0.42, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-2-[methyl(7H-purin-6-yl)amino]acetamide is sourced from PubChem (CID 119643710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).