N-[2-(aminomethyl)phenyl]-6-methoxy-9-methylpurin-2-amine

C14H16N6O — CID 167077221

IUPACN-[2-(aminomethyl)phenyl]-6-methoxy-9-methylpurin-2-amine
SMILESCOc1nc(Nc2ccccc2CN)nc2c1ncn2C
InChIInChI=1S/C14H16N6O/c1-20-8-16-11-12(20)18-14(19-13(11)21-2)17-10-6-4-3-5-9(10)7-15/h3-6,8H,7,15H2,1-2H3,(H,17,18,19)
InChIKeyAACYXEUUMAVRNW-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.57
Rot. Bonds4

About N-[2-(aminomethyl)phenyl]-6-methoxy-9-methylpurin-2-amine

N-[2-(aminomethyl)phenyl]-6-methoxy-9-methylpurin-2-amine (PubChem CID 167077221) has the molecular formula C14H16N6O and a molecular weight of 284.32 g/mol. Its IUPAC name is N-[2-(aminomethyl)phenyl]-6-methoxy-9-methylpurin-2-amine.

Molecular Properties

Compound NameN-[2-(aminomethyl)phenyl]-6-methoxy-9-methylpurin-2-amine
PubChem CID167077221
Molecular FormulaC14H16N6O
Molecular Weight284.32 g/mol
Exact Mass284.14
IUPAC NameN-[2-(aminomethyl)phenyl]-6-methoxy-9-methylpurin-2-amine
SMILESCOc1nc(Nc2ccccc2CN)nc2c1ncn2C
InChIInChI=1S/C14H16N6O/c1-20-8-16-11-12(20)18-14(19-13(11)21-2)17-10-6-4-3-5-9(10)7-15/h3-6,8H,7,15H2,1-2H3,(H,17,18,19)
InChIKeyAACYXEUUMAVRNW-UHFFFAOYSA-N
XLogP1.57
TPSA90.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-Anilino-6-cyclohexylmethoxypurine
CID 1540
O6-Cyclohexylmethylguanine deriv. 42
CID 5329573
9-Methyl-6-phenylmethoxypurin-2-amine
CID 10083691
1-[[6-[(2-Aminophenyl)methylamino]-9-propan-2-ylpurin-2-yl]amino]-2-methylpropan-2-ol
CID 46926801
6-cyclohexyloxy-N-(2-methyl-4-morpholin-4-ylphenyl)-7H-purin-2-amine
CID 46927371
2-(4-fluorophenyl)-N-[4-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1-methylbenzimidazol-4-amine
CID 66679674
6-(cyclohexylmethoxy)-N-(3-fluorophenyl)-9H-purin-2-amine
CID 5329551
O6-Cyclohexylmethylguanine deriv. 19
CID 5329554
O6-Cyclohexylmethylguanine deriv. 23
CID 5329558
N-benzyl-3-(6-phenylmethoxypurin-9-yl)propan-1-amine
CID 45281088
3,4-dimethyl-N-[3-(6-phenylmethoxypurin-9-yl)propyl]aniline
CID 45281098
6-({3-[(dimethylamino)methyl]phenyl}methoxy)-9H-purin-2-amine
CID 71449867

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)phenyl]-6-methoxy-9-methylpurin-2-amine?
The IUPAC name of N-[2-(aminomethyl)phenyl]-6-methoxy-9-methylpurin-2-amine (CID 167077221) is N-[2-(aminomethyl)phenyl]-6-methoxy-9-methylpurin-2-amine.
What is the SMILES notation for N-[2-(aminomethyl)phenyl]-6-methoxy-9-methylpurin-2-amine?
The canonical SMILES for N-[2-(aminomethyl)phenyl]-6-methoxy-9-methylpurin-2-amine is COc1nc(Nc2ccccc2CN)nc2c1ncn2C.
What is the InChIKey of N-[2-(aminomethyl)phenyl]-6-methoxy-9-methylpurin-2-amine?
The InChIKey is AACYXEUUMAVRNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O/c1-20-8-16-11-12(20)18-14(19-13(11)21-2)17-10-6-4-3-5-9(10)7-15/h3-6,8H,7,15H2,1-2H3,(H,17,18,19).
What are the key properties of N-[2-(aminomethyl)phenyl]-6-methoxy-9-methylpurin-2-amine?
N-[2-(aminomethyl)phenyl]-6-methoxy-9-methylpurin-2-amine has a molecular weight of 284.32 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)phenyl]-6-methoxy-9-methylpurin-2-amine is sourced from PubChem (CID 167077221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).