N-[4-(aminomethyl)phenyl]-6-methoxy-9-methylpurin-2-amine

C14H16N6O — CID 167077303

IUPACN-[4-(aminomethyl)phenyl]-6-methoxy-9-methylpurin-2-amine
SMILESCOc1nc(Nc2ccc(CN)cc2)nc2c1ncn2C
InChIInChI=1S/C14H16N6O/c1-20-8-16-11-12(20)18-14(19-13(11)21-2)17-10-5-3-9(7-15)4-6-10/h3-6,8H,7,15H2,1-2H3,(H,17,18,19)
InChIKeyBZQHSUGVPCUNGO-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.57
Rot. Bonds4

About N-[4-(aminomethyl)phenyl]-6-methoxy-9-methylpurin-2-amine

N-[4-(aminomethyl)phenyl]-6-methoxy-9-methylpurin-2-amine (PubChem CID 167077303) has the molecular formula C14H16N6O and a molecular weight of 284.32 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-6-methoxy-9-methylpurin-2-amine.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-6-methoxy-9-methylpurin-2-amine
PubChem CID167077303
Molecular FormulaC14H16N6O
Molecular Weight284.32 g/mol
Exact Mass284.14
IUPAC NameN-[4-(aminomethyl)phenyl]-6-methoxy-9-methylpurin-2-amine
SMILESCOc1nc(Nc2ccc(CN)cc2)nc2c1ncn2C
InChIInChI=1S/C14H16N6O/c1-20-8-16-11-12(20)18-14(19-13(11)21-2)17-10-5-3-9(7-15)4-6-10/h3-6,8H,7,15H2,1-2H3,(H,17,18,19)
InChIKeyBZQHSUGVPCUNGO-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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Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-6-methoxy-9-methylpurin-2-amine?
The IUPAC name of N-[4-(aminomethyl)phenyl]-6-methoxy-9-methylpurin-2-amine (CID 167077303) is N-[4-(aminomethyl)phenyl]-6-methoxy-9-methylpurin-2-amine.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-6-methoxy-9-methylpurin-2-amine?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-6-methoxy-9-methylpurin-2-amine is COc1nc(Nc2ccc(CN)cc2)nc2c1ncn2C.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-6-methoxy-9-methylpurin-2-amine?
The InChIKey is BZQHSUGVPCUNGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O/c1-20-8-16-11-12(20)18-14(19-13(11)21-2)17-10-5-3-9(7-15)4-6-10/h3-6,8H,7,15H2,1-2H3,(H,17,18,19).
What are the key properties of N-[4-(aminomethyl)phenyl]-6-methoxy-9-methylpurin-2-amine?
N-[4-(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-[4-(aminomethyl)phenyl]-6-methoxy-9-methylpurin-2-amine is sourced from PubChem (CID 167077303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).