9-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]purin-2-amine

C17H17N7 — CID 162627078

IUPAC9-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]purin-2-amine
SMILESCc1nccn1-c1ccccc1CNc1ncc2ncn(C)c2n1
InChIInChI=1S/C17H17N7/c1-12-18-7-8-24(12)15-6-4-3-5-13(15)9-19-17-20-10-14-16(22-17)23(2)11-21-14/h3-8,10-11H,9H2,1-2H3,(H,19,20,22)
InChIKeyJBAVHTTXWLOAMC-UHFFFAOYSA-N
MW319.37 g/mol
LogP2.47
Rot. Bonds4

About 9-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]purin-2-amine

9-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]purin-2-amine (PubChem CID 162627078) has the molecular formula C17H17N7 and a molecular weight of 319.37 g/mol. Its IUPAC name is 9-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]purin-2-amine.

Molecular Properties

Compound Name9-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]purin-2-amine
PubChem CID162627078
Molecular FormulaC17H17N7
Molecular Weight319.37 g/mol
Exact Mass319.15
IUPAC Name9-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]purin-2-amine
SMILESCc1nccn1-c1ccccc1CNc1ncc2ncn(C)c2n1
InChIInChI=1S/C17H17N7/c1-12-18-7-8-24(12)15-6-4-3-5-13(15)9-19-17-20-10-14-16(22-17)23(2)11-21-14/h3-8,10-11H,9H2,1-2H3,(H,19,20,22)
InChIKeyJBAVHTTXWLOAMC-UHFFFAOYSA-N
XLogP2.47
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-5-propylpyrimidin-4-amine
CID 135115289
2-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 123647234
2-[[2-(2-methylimidazol-1-yl)phenyl]methylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 47087219
2-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]propanamide
CID 48734949
1,3-dimethyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-2,4-dioxopyrimidine-5-sulfonamide
CID 47080525
2-amino-3-ethyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 70784602
N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzenesulfonamide
CID 46764245
(2S)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-1-(4-methylpiperazin-1-yl)propan-2-amine
CID 95230096
(2R)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-1-(4-methylpiperazin-1-yl)propan-2-amine
CID 95230097
N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-9-methylpurin-2-amine
CID 157014952
1-[2-(2-methylimidazol-1-yl)phenyl]-N-[(2-propylsulfanylpyrimidin-5-yl)methyl]methanamine
CID 50954576
N-[(2-aminophenyl)methyl]-2-(2-methylimidazol-1-yl)pyridin-3-amine
CID 66418244

Frequently Asked Questions

What is the IUPAC name of 9-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]purin-2-amine?
The IUPAC name of 9-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]purin-2-amine (CID 162627078) is 9-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]purin-2-amine.
What is the SMILES notation for 9-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]purin-2-amine?
The canonical SMILES for 9-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]purin-2-amine is Cc1nccn1-c1ccccc1CNc1ncc2ncn(C)c2n1.
What is the InChIKey of 9-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]purin-2-amine?
The InChIKey is JBAVHTTXWLOAMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N7/c1-12-18-7-8-24(12)15-6-4-3-5-13(15)9-19-17-20-10-14-16(22-17)23(2)11-21-14/h3-8,10-11H,9H2,1-2H3,(H,19,20,22).
What are the key properties of 9-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]purin-2-amine?
9-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]purin-2-amine has a molecular weight of 319.37 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]purin-2-amine is sourced from PubChem (CID 162627078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).