N-(1-aminohexan-2-yl)-2-[methyl(7H-purin-6-yl)amino]acetamide;dihydrochloride

C14H25Cl2N7O — CID 119668576

IUPACN-(1-aminohexan-2-yl)-2-[methyl(7H-purin-6-yl)amino]acetamide;dihydrochloride
SMILESCCCCC(CN)NC(=O)CN(C)c1ncnc2nc[nH]c12.Cl.Cl
InChIInChI=1S/C14H23N7O.2ClH/c1-3-4-5-10(6-15)20-11(22)7-21(2)14-12-13(17-8-16-12)18-9-19-14;;/h8-10H,3-7,15H2,1-2H3,(H,20,22)(H,16,17,18,19);2*1H
InChIKeyDGLBZCYCDLOBCP-UHFFFAOYSA-N
MW378.31 g/mol
LogP1.27
Rot. Bonds8

About N-(1-aminohexan-2-yl)-2-[methyl(7H-purin-6-yl)amino]acetamide;dihydrochloride

N-(1-aminohexan-2-yl)-2-[methyl(7H-purin-6-yl)amino]acetamide;dihydrochloride (PubChem CID 119668576) has the molecular formula C14H25Cl2N7O and a molecular weight of 378.31 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-2-[methyl(7H-purin-6-yl)amino]acetamide;dihydrochloride.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-2-[methyl(7H-purin-6-yl)amino]acetamide;dihydrochloride
PubChem CID119668576
Molecular FormulaC14H25Cl2N7O
Molecular Weight378.31 g/mol
Exact Mass377.15
IUPAC NameN-(1-aminohexan-2-yl)-2-[methyl(7H-purin-6-yl)amino]acetamide;dihydrochloride
SMILESCCCCC(CN)NC(=O)CN(C)c1ncnc2nc[nH]c12.Cl.Cl
InChIInChI=1S/C14H23N7O.2ClH/c1-3-4-5-10(6-15)20-11(22)7-21(2)14-12-13(17-8-16-12)18-9-19-14;;/h8-10H,3-7,15H2,1-2H3,(H,20,22)(H,16,17,18,19);2*1H
InChIKeyDGLBZCYCDLOBCP-UHFFFAOYSA-N
XLogP1.27
TPSA112.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.31
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-amino-2-ethylbutyl)-2-[methyl(7H-purin-6-yl)amino]acetamide
CID 119643710
2-[methyl(7H-purin-6-yl)amino]-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 94078674
2-[methyl(7H-purin-6-yl)amino]-N-(1-naphthalen-1-ylpropyl)acetamide
CID 154878424
N-[(1R)-1-(2,5-dimethylthiophen-3-yl)ethyl]-2-[methyl(7H-purin-6-yl)amino]acetamide
CID 94658120
N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-[methyl(7H-purin-6-yl)amino]acetamide
CID 97313738
N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-[methyl(7H-purin-6-yl)amino]acetamide
CID 97313739
2-[methyl(7H-purin-6-yl)amino]-N-[(1R)-3-methyl-1-thiophen-2-ylbutyl]acetamide
CID 52520731
N-(2,6-difluorophenyl)-2-[methyl(7H-purin-6-yl)amino]acetamide
CID 154748178
3-[methyl-[2-[methyl(7H-purin-6-yl)amino]acetyl]amino]propanoic acid
CID 119362648
N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-[methyl(7H-purin-6-yl)amino]acetamide
CID 166409827
(2S)-2-(7H-purin-6-ylamino)hexanoic acid;hydrochloride
CID 167991552
N-methyl-4-[[2-[methyl(7H-purin-6-yl)amino]acetyl]amino]cyclohexane-1-carboxamide
CID 75480091

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-2-[methyl(7H-purin-6-yl)amino]acetamide;dihydrochloride?
The IUPAC name of N-(1-aminohexan-2-yl)-2-[methyl(7H-purin-6-yl)amino]acetamide;dihydrochloride (CID 119668576) is N-(1-aminohexan-2-yl)-2-[methyl(7H-purin-6-yl)amino]acetamide;dihydrochloride.
What is the SMILES notation for N-(1-aminohexan-2-yl)-2-[methyl(7H-purin-6-yl)amino]acetamide;dihydrochloride?
The canonical SMILES for N-(1-aminohexan-2-yl)-2-[methyl(7H-purin-6-yl)amino]acetamide;dihydrochloride is CCCCC(CN)NC(=O)CN(C)c1ncnc2nc[nH]c12.Cl.Cl.
What is the InChIKey of N-(1-aminohexan-2-yl)-2-[methyl(7H-purin-6-yl)amino]acetamide;dihydrochloride?
The InChIKey is DGLBZCYCDLOBCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N7O.2ClH/c1-3-4-5-10(6-15)20-11(22)7-21(2)14-12-13(17-8-16-12)18-9-19-14;;/h8-10H,3-7,15H2,1-2H3,(H,20,22)(H,16,17,18,19);2*1H.
What are the key properties of N-(1-aminohexan-2-yl)-2-[methyl(7H-purin-6-yl)amino]acetamide;dihydrochloride?
N-(1-aminohexan-2-yl)-2-[methyl(7H-purin-6-yl)amino]acetamide;dihydrochloride has a molecular weight of 378.31 g/mol, XLogP of 1.27, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-2-[methyl(7H-purin-6-yl)amino]acetamide;dihydrochloride is sourced from PubChem (CID 119668576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).