iodomethane;N-methyl-7H-purin-6-amine

C7H10IN5 — CID 142609463

IUPACiodomethane;N-methyl-7H-purin-6-amine
SMILESCI.CNc1ncnc2nc[nH]c12
InChIInChI=1S/C6H7N5.CH3I/c1-7-5-4-6(10-2-8-4)11-3-9-5;1-2/h2-3H,1H3,(H2,7,8,9,10,11);1H3
InChIKeyBIEIACKLJILIRY-UHFFFAOYSA-N
MW291.10 g/mol
LogP1.45
Rot. Bonds1

About iodomethane;N-methyl-7H-purin-6-amine

iodomethane;N-methyl-7H-purin-6-amine (PubChem CID 142609463) has the molecular formula C7H10IN5 and a molecular weight of 291.10 g/mol. Its IUPAC name is iodomethane;N-methyl-7H-purin-6-amine.

Molecular Properties

Compound Nameiodomethane;N-methyl-7H-purin-6-amine
PubChem CID142609463
Molecular FormulaC7H10IN5
Molecular Weight291.10 g/mol
Exact Mass291.00
IUPAC Nameiodomethane;N-methyl-7H-purin-6-amine
SMILESCI.CNc1ncnc2nc[nH]c12
InChIInChI=1S/C6H7N5.CH3I/c1-7-5-4-6(10-2-8-4)11-3-9-5;1-2/h2-3H,1H3,(H2,7,8,9,10,11);1H3
InChIKeyBIEIACKLJILIRY-UHFFFAOYSA-N
XLogP1.45
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.10
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-(trideuteriomethyl)-7H-purin-6-amine
CID 169443443
N-(7H-purin-6-yl)hydroxylamine
CID 21876
ethane;N-methylsulfanyl-7H-purin-6-amine
CID 144670169
4-amino-3-methyl-1,4-dihydropyrimidin-2-one;N-methyl-7H-purin-6-amine
CID 175377214
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
N-but-3-yn-2-yl-7H-purin-6-amine
CID 114417890
N-butyl-7H-purin-6-amine;ethane
CID 154667457
N-(2,2-dimethylcyclopropyl)-7H-purin-6-amine
CID 61223491
N-methyl-5-propyl-6-(7H-purin-6-ylsulfanyl)pyrimidin-4-amine
CID 80883518
N'-propan-2-yl-N-(7H-purin-6-yl)ethane-1,2-diamine
CID 62664479

Frequently Asked Questions

What is the IUPAC name of iodomethane;N-methyl-7H-purin-6-amine?
The IUPAC name of iodomethane;N-methyl-7H-purin-6-amine (CID 142609463) is iodomethane;N-methyl-7H-purin-6-amine.
What is the SMILES notation for iodomethane;N-methyl-7H-purin-6-amine?
The canonical SMILES for iodomethane;N-methyl-7H-purin-6-amine is CI.CNc1ncnc2nc[nH]c12.
What is the InChIKey of iodomethane;N-methyl-7H-purin-6-amine?
The InChIKey is BIEIACKLJILIRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N5.CH3I/c1-7-5-4-6(10-2-8-4)11-3-9-5;1-2/h2-3H,1H3,(H2,7,8,9,10,11);1H3.
What are the key properties of iodomethane;N-methyl-7H-purin-6-amine?
iodomethane;N-methyl-7H-purin-6-amine has a molecular weight of 291.10 g/mol, XLogP of 1.45, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for iodomethane;N-methyl-7H-purin-6-amine is sourced from PubChem (CID 142609463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).