N-(trideuteriomethyl)-7H-purin-6-amine

C6H7N5 — CID 169443443

IUPACN-(trideuteriomethyl)-7H-purin-6-amine
SMILES[2H]C([2H])([2H])Nc1ncnc2nc[nH]c12
InChIInChI=1S/C6H7N5/c1-7-5-4-6(10-2-8-4)11-3-9-5/h2-3H,1H3,(H2,7,8,9,10,11)/i1D3
InChIKeyCKOMXBHMKXXTNW-FIBGUPNXSA-N
MW152.18 g/mol
LogP0.39
Rot. Bonds2

About N-(trideuteriomethyl)-7H-purin-6-amine

N-(trideuteriomethyl)-7H-purin-6-amine (PubChem CID 169443443) has the molecular formula C6H7N5 and a molecular weight of 152.18 g/mol. Its IUPAC name is N-(trideuteriomethyl)-7H-purin-6-amine.

Molecular Properties

Compound NameN-(trideuteriomethyl)-7H-purin-6-amine
PubChem CID169443443
Molecular FormulaC6H7N5
Molecular Weight152.18 g/mol
Exact Mass152.09
IUPAC NameN-(trideuteriomethyl)-7H-purin-6-amine
SMILES[2H]C([2H])([2H])Nc1ncnc2nc[nH]c12
InChIInChI=1S/C6H7N5/c1-7-5-4-6(10-2-8-4)11-3-9-5/h2-3H,1H3,(H2,7,8,9,10,11)/i1D3
InChIKeyCKOMXBHMKXXTNW-FIBGUPNXSA-N
XLogP0.39
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.18
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

iodomethane;N-methyl-7H-purin-6-amine
CID 142609463
N-(7H-purin-6-yl)hydroxylamine
CID 21876
ethane;N-methylsulfanyl-7H-purin-6-amine
CID 144670169
N-ethynyl-7H-purin-6-amine
CID 149150295
(7H-purin-6-ylamino)methanol
CID 86209273
N-[(1R,2R)-2-methylcyclopropyl]-7H-purin-6-amine
CID 131020883
(E)-1,1-dideuterio-4-(7H-purin-6-ylamino)-2-(trideuteriomethyl)but-2-en-1-ol
CID 131884164
1-(7H-purin-6-yl)ethanol
CID 18670461
N-(2,2-dimethylcyclopropyl)-7H-purin-6-amine
CID 61223491
N-but-3-yn-2-yl-7H-purin-6-amine
CID 114417890
N-butyl-7H-purin-6-amine;ethane
CID 154667457
2-methyl-N-(7H-purin-6-yl)prop-2-enamide
CID 142419518

Frequently Asked Questions

What is the IUPAC name of N-(trideuteriomethyl)-7H-purin-6-amine?
The IUPAC name of N-(trideuteriomethyl)-7H-purin-6-amine (CID 169443443) is N-(trideuteriomethyl)-7H-purin-6-amine.
What is the SMILES notation for N-(trideuteriomethyl)-7H-purin-6-amine?
The canonical SMILES for N-(trideuteriomethyl)-7H-purin-6-amine is [2H]C([2H])([2H])Nc1ncnc2nc[nH]c12.
What is the InChIKey of N-(trideuteriomethyl)-7H-purin-6-amine?
The InChIKey is CKOMXBHMKXXTNW-FIBGUPNXSA-N. The full InChI is InChI=1S/C6H7N5/c1-7-5-4-6(10-2-8-4)11-3-9-5/h2-3H,1H3,(H2,7,8,9,10,11)/i1D3.
What are the key properties of N-(trideuteriomethyl)-7H-purin-6-amine?
N-(trideuteriomethyl)-7H-purin-6-amine has a molecular weight of 152.18 g/mol, XLogP of 0.39, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(trideuteriomethyl)-7H-purin-6-amine is sourced from PubChem (CID 169443443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).