2-phenylmethoxy-7H-purin-8-amine

C12H11N5O — CID 130154734

IUPAC2-phenylmethoxy-7H-purin-8-amine
SMILESNc1nc2nc(OCc3ccccc3)ncc2[nH]1
InChIInChI=1S/C12H11N5O/c13-11-15-9-6-14-12(17-10(9)16-11)18-7-8-4-2-1-3-5-8/h1-6H,7H2,(H3,13,14,15,16,17)
InChIKeyLAKARCBLVGVYPR-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.51
Rot. Bonds3

About 2-phenylmethoxy-7H-purin-8-amine

2-phenylmethoxy-7H-purin-8-amine (PubChem CID 130154734) has the molecular formula C12H11N5O and a molecular weight of 241.25 g/mol. Its IUPAC name is 2-phenylmethoxy-7H-purin-8-amine.

Molecular Properties

Compound Name2-phenylmethoxy-7H-purin-8-amine
PubChem CID130154734
Molecular FormulaC12H11N5O
Molecular Weight241.25 g/mol
Exact Mass241.10
IUPAC Name2-phenylmethoxy-7H-purin-8-amine
SMILESNc1nc2nc(OCc3ccccc3)ncc2[nH]1
InChIInChI=1S/C12H11N5O/c13-11-15-9-6-14-12(17-10(9)16-11)18-7-8-4-2-1-3-5-8/h1-6H,7H2,(H3,13,14,15,16,17)
InChIKeyLAKARCBLVGVYPR-UHFFFAOYSA-N
XLogP1.51
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-phenylmethoxy-7H-purin-8-amine with MolForge

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

Launch Full Analysis

Related Compounds

2-amino-8-phenylmethoxy-1,7-dihydropurin-6-one;hydrochloride
CID 136934360
2-(2-methoxyethyl)-7H-purin-8-amine
CID 150775461
2-fluoro-7H-purin-8-amine
CID 142660293
5-(difluoromethoxy)-2,4-bis(phenylmethoxy)pyrimidine
CID 167327400
3-phenylmethoxy-1H-indol-2-amine
CID 152577928
4-phenylmethoxy-1H-pyrazolo[5,4-d]pyrimidin-6-amine
CID 76847022
5-phenylmethoxypyrimidin-2-amine
CID 20748397
4-phenylmethoxy-1H-pyrazolo[4,3-c]pyridin-3-amine
CID 90462189
5-amino-2-phenylmethoxy-1H-pyrimidin-6-one
CID 141435481
8-benzyl-2-chloro-7H-purine
CID 150669812
2-hexadecoxy-4-phenylmethoxy-1,3,5-triazine
CID 150774956
2-amino-6-(2-phenylethyl)-3H-pyrido[2,3-d]pyrimidin-4-one
CID 136679439

Frequently Asked Questions

What is the IUPAC name of 2-phenylmethoxy-7H-purin-8-amine?
The IUPAC name of 2-phenylmethoxy-7H-purin-8-amine (CID 130154734) is 2-phenylmethoxy-7H-purin-8-amine.
What is the SMILES notation for 2-phenylmethoxy-7H-purin-8-amine?
The canonical SMILES for 2-phenylmethoxy-7H-purin-8-amine is Nc1nc2nc(OCc3ccccc3)ncc2[nH]1.
What is the InChIKey of 2-phenylmethoxy-7H-purin-8-amine?
The InChIKey is LAKARCBLVGVYPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O/c13-11-15-9-6-14-12(17-10(9)16-11)18-7-8-4-2-1-3-5-8/h1-6H,7H2,(H3,13,14,15,16,17).
What are the key properties of 2-phenylmethoxy-7H-purin-8-amine?
2-phenylmethoxy-7H-purin-8-amine has a molecular weight of 241.25 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylmethoxy-7H-purin-8-amine is sourced from PubChem (CID 130154734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).