N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-7H-purin-6-amine

C12H15N7 — CID 45216939

IUPACN-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-7H-purin-6-amine
SMILESCc1nccn1CCN(C)c1ncnc2nc[nH]c12
InChIInChI=1S/C12H15N7/c1-9-13-3-4-19(9)6-5-18(2)12-10-11(15-7-14-10)16-8-17-12/h3-4,7-8H,5-6H2,1-2H3,(H,14,15,16,17)
InChIKeyAILJQDUIEDOLFH-UHFFFAOYSA-N
MW257.30 g/mol
LogP0.99
Rot. Bonds4

About N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-7H-purin-6-amine

N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-7H-purin-6-amine (PubChem CID 45216939) has the molecular formula C12H15N7 and a molecular weight of 257.30 g/mol. Its IUPAC name is N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-7H-purin-6-amine.

Molecular Properties

Compound NameN-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-7H-purin-6-amine
PubChem CID45216939
Molecular FormulaC12H15N7
Molecular Weight257.30 g/mol
Exact Mass257.14
IUPAC NameN-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-7H-purin-6-amine
SMILESCc1nccn1CCN(C)c1ncnc2nc[nH]c12
InChIInChI=1S/C12H15N7/c1-9-13-3-4-19(9)6-5-18(2)12-10-11(15-7-14-10)16-8-17-12/h3-4,7-8H,5-6H2,1-2H3,(H,14,15,16,17)
InChIKeyAILJQDUIEDOLFH-UHFFFAOYSA-N
XLogP0.99
TPSA75.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-chlorobutyl)-N-methyl-7H-purin-6-amine
CID 13285773
5-ethyl-N,2-dimethyl-N-[2-(2-methylimidazol-1-yl)ethyl]pyrimidin-4-amine
CID 50965256
N-[3-(4-methoxyphenyl)propyl]-N-methyl-7H-purin-6-amine
CID 133271373
3-[methyl-[2-[methyl(7H-purin-6-yl)amino]acetyl]amino]propanoic acid
CID 119362648
N,N-bis(trimethylsilyl)-7H-purin-6-amine
CID 19910051
2-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]acetic acid
CID 61493400
1-N-methyl-1-N-[2-(2-methylimidazol-1-yl)ethyl]propane-1,2-diamine
CID 63759365
N,N-bis(methylamino)-7H-purin-6-amine
CID 66676633
N-methyl-N-(oxan-2-ylmethyl)-7H-purin-6-amine
CID 47357925
N-[(3-aminophenyl)methyl]-N-methyl-7H-purin-6-amine
CID 60877421
2-[methyl(7H-purin-6-yl)amino]-N-(5-methyl-2-pyridinyl)acetamide
CID 167835478
2,3-dimethyl-N-[3-[methyl(7H-purin-6-yl)amino]propyl]pent-4-enamide
CID 154793598

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-7H-purin-6-amine?
The IUPAC name of N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-7H-purin-6-amine (CID 45216939) is N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-7H-purin-6-amine.
What is the SMILES notation for N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-7H-purin-6-amine?
The canonical SMILES for N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-7H-purin-6-amine is Cc1nccn1CCN(C)c1ncnc2nc[nH]c12.
What is the InChIKey of N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-7H-purin-6-amine?
The InChIKey is AILJQDUIEDOLFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N7/c1-9-13-3-4-19(9)6-5-18(2)12-10-11(15-7-14-10)16-8-17-12/h3-4,7-8H,5-6H2,1-2H3,(H,14,15,16,17).
What are the key properties of N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-7H-purin-6-amine?
N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-7H-purin-6-amine has a molecular weight of 257.30 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-7H-purin-6-amine is sourced from PubChem (CID 45216939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).