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

C16H20N6O — CID 164775716

IUPACN-[2-(aminomethyl)phenyl]-6-methoxy-9-propan-2-ylpurin-2-amine
SMILESCOc1nc(Nc2ccccc2CN)nc2c1ncn2C(C)C
InChIInChI=1S/C16H20N6O/c1-10(2)22-9-18-13-14(22)20-16(21-15(13)23-3)19-12-7-5-4-6-11(12)8-17/h4-7,9-10H,8,17H2,1-3H3,(H,19,20,21)
InChIKeyBCEDGLQVQMHRHM-UHFFFAOYSA-N
MW312.38 g/mol
LogP2.62
Rot. Bonds5

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

N-[2-(aminomethyl)phenyl]-6-methoxy-9-propan-2-ylpurin-2-amine (PubChem CID 164775716) has the molecular formula C16H20N6O and a molecular weight of 312.38 g/mol. Its IUPAC name is N-[2-(aminomethyl)phenyl]-6-methoxy-9-propan-2-ylpurin-2-amine.

Molecular Properties

Compound NameN-[2-(aminomethyl)phenyl]-6-methoxy-9-propan-2-ylpurin-2-amine
PubChem CID164775716
Molecular FormulaC16H20N6O
Molecular Weight312.38 g/mol
Exact Mass312.17
IUPAC NameN-[2-(aminomethyl)phenyl]-6-methoxy-9-propan-2-ylpurin-2-amine
SMILESCOc1nc(Nc2ccccc2CN)nc2c1ncn2C(C)C
InChIInChI=1S/C16H20N6O/c1-10(2)22-9-18-13-14(22)20-16(21-15(13)23-3)19-12-7-5-4-6-11(12)8-17/h4-7,9-10H,8,17H2,1-3H3,(H,19,20,21)
InChIKeyBCEDGLQVQMHRHM-UHFFFAOYSA-N
XLogP2.62
TPSA90.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[2-(aminomethyl)phenyl]-6-methoxy-9-propan-2-ylpurin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)phenyl]-6-methoxy-9-propan-2-ylpurin-2-amine?
The IUPAC name of N-[2-(aminomethyl)phenyl]-6-methoxy-9-propan-2-ylpurin-2-amine (CID 164775716) is N-[2-(aminomethyl)phenyl]-6-methoxy-9-propan-2-ylpurin-2-amine.
What is the SMILES notation for N-[2-(aminomethyl)phenyl]-6-methoxy-9-propan-2-ylpurin-2-amine?
The canonical SMILES for N-[2-(aminomethyl)phenyl]-6-methoxy-9-propan-2-ylpurin-2-amine is COc1nc(Nc2ccccc2CN)nc2c1ncn2C(C)C.
What is the InChIKey of N-[2-(aminomethyl)phenyl]-6-methoxy-9-propan-2-ylpurin-2-amine?
The InChIKey is BCEDGLQVQMHRHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O/c1-10(2)22-9-18-13-14(22)20-16(21-15(13)23-3)19-12-7-5-4-6-11(12)8-17/h4-7,9-10H,8,17H2,1-3H3,(H,19,20,21).
What are the key properties of N-[2-(aminomethyl)phenyl]-6-methoxy-9-propan-2-ylpurin-2-amine?
N-[2-(aminomethyl)phenyl]-6-methoxy-9-propan-2-ylpurin-2-amine has a molecular weight of 312.38 g/mol, XLogP of 2.62, 5 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-propan-2-ylpurin-2-amine is sourced from PubChem (CID 164775716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).