N-[(2-methoxyphenyl)-phenylmethyl]-9-methylpurin-6-amine

C20H19N5O — CID 146088176

IUPACN-[(2-methoxyphenyl)-phenylmethyl]-9-methylpurin-6-amine
SMILESCOc1ccccc1C(Nc1ncnc2c1ncn2C)c1ccccc1
InChIInChI=1S/C20H19N5O/c1-25-13-23-18-19(21-12-22-20(18)25)24-17(14-8-4-3-5-9-14)15-10-6-7-11-16(15)26-2/h3-13,17H,1-2H3,(H,21,22,24)
InChIKeyBXOSJWFBUFYGTN-UHFFFAOYSA-N
MW345.41 g/mol
LogP3.57
Rot. Bonds5

About N-[(2-methoxyphenyl)-phenylmethyl]-9-methylpurin-6-amine

N-[(2-methoxyphenyl)-phenylmethyl]-9-methylpurin-6-amine (PubChem CID 146088176) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)-phenylmethyl]-9-methylpurin-6-amine.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)-phenylmethyl]-9-methylpurin-6-amine
PubChem CID146088176
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC NameN-[(2-methoxyphenyl)-phenylmethyl]-9-methylpurin-6-amine
SMILESCOc1ccccc1C(Nc1ncnc2c1ncn2C)c1ccccc1
InChIInChI=1S/C20H19N5O/c1-25-13-23-18-19(21-12-22-20(18)25)24-17(14-8-4-3-5-9-14)15-10-6-7-11-16(15)26-2/h3-13,17H,1-2H3,(H,21,22,24)
InChIKeyBXOSJWFBUFYGTN-UHFFFAOYSA-N
XLogP3.57
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)-phenylmethyl]-9-methylpurin-6-amine?
The IUPAC name of N-[(2-methoxyphenyl)-phenylmethyl]-9-methylpurin-6-amine (CID 146088176) is N-[(2-methoxyphenyl)-phenylmethyl]-9-methylpurin-6-amine.
What is the SMILES notation for N-[(2-methoxyphenyl)-phenylmethyl]-9-methylpurin-6-amine?
The canonical SMILES for N-[(2-methoxyphenyl)-phenylmethyl]-9-methylpurin-6-amine is COc1ccccc1C(Nc1ncnc2c1ncn2C)c1ccccc1.
What is the InChIKey of N-[(2-methoxyphenyl)-phenylmethyl]-9-methylpurin-6-amine?
The InChIKey is BXOSJWFBUFYGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O/c1-25-13-23-18-19(21-12-22-20(18)25)24-17(14-8-4-3-5-9-14)15-10-6-7-11-16(15)26-2/h3-13,17H,1-2H3,(H,21,22,24).
What are the key properties of N-[(2-methoxyphenyl)-phenylmethyl]-9-methylpurin-6-amine?
N-[(2-methoxyphenyl)-phenylmethyl]-9-methylpurin-6-amine has a molecular weight of 345.41 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)-phenylmethyl]-9-methylpurin-6-amine is sourced from PubChem (CID 146088176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).