9-methyl-6-phenylmethoxypurin-2-amine

C13H13N5O — CID 10083691

IUPAC9-methyl-6-phenylmethoxypurin-2-amine
SMILESCn1cnc2c(OCc3ccccc3)nc(N)nc21
InChIInChI=1S/C13H13N5O/c1-18-8-15-10-11(18)16-13(14)17-12(10)19-7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H2,14,16,17)
InChIKeyNTJHRKCJHIPHBB-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.52
Rot. Bonds3

About 9-methyl-6-phenylmethoxypurin-2-amine

9-methyl-6-phenylmethoxypurin-2-amine (PubChem CID 10083691) has the molecular formula C13H13N5O and a molecular weight of 255.28 g/mol. Its IUPAC name is 9-methyl-6-phenylmethoxypurin-2-amine.

Molecular Properties

Compound Name9-methyl-6-phenylmethoxypurin-2-amine
PubChem CID10083691
Molecular FormulaC13H13N5O
Molecular Weight255.28 g/mol
Exact Mass255.11
IUPAC Name9-methyl-6-phenylmethoxypurin-2-amine
SMILESCn1cnc2c(OCc3ccccc3)nc(N)nc21
InChIInChI=1S/C13H13N5O/c1-18-8-15-10-11(18)16-13(14)17-12(10)19-7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H2,14,16,17)
InChIKeyNTJHRKCJHIPHBB-UHFFFAOYSA-N
XLogP1.52
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-6-phenylmethoxypurin-2-amine?
The IUPAC name of 9-methyl-6-phenylmethoxypurin-2-amine (CID 10083691) is 9-methyl-6-phenylmethoxypurin-2-amine.
What is the SMILES notation for 9-methyl-6-phenylmethoxypurin-2-amine?
The canonical SMILES for 9-methyl-6-phenylmethoxypurin-2-amine is Cn1cnc2c(OCc3ccccc3)nc(N)nc21.
What is the InChIKey of 9-methyl-6-phenylmethoxypurin-2-amine?
The InChIKey is NTJHRKCJHIPHBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O/c1-18-8-15-10-11(18)16-13(14)17-12(10)19-7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H2,14,16,17).
What are the key properties of 9-methyl-6-phenylmethoxypurin-2-amine?
9-methyl-6-phenylmethoxypurin-2-amine has a molecular weight of 255.28 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-6-phenylmethoxypurin-2-amine is sourced from PubChem (CID 10083691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).