8-methyl-6-phenylmethoxy-7H-purin-2-amine

C13H13N5O — CID 10015222

IUPAC8-methyl-6-phenylmethoxy-7H-purin-2-amine
SMILESCc1nc2nc(N)nc(OCc3ccccc3)c2[nH]1
InChIInChI=1S/C13H13N5O/c1-8-15-10-11(16-8)17-13(14)18-12(10)19-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H3,14,15,16,17,18)
InChIKeyCSGNBFCPTIATBJ-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.82
Rot. Bonds3

About 8-methyl-6-phenylmethoxy-7H-purin-2-amine

8-methyl-6-phenylmethoxy-7H-purin-2-amine (PubChem CID 10015222) has the molecular formula C13H13N5O and a molecular weight of 255.28 g/mol. Its IUPAC name is 8-methyl-6-phenylmethoxy-7H-purin-2-amine.

Molecular Properties

Compound Name8-methyl-6-phenylmethoxy-7H-purin-2-amine
PubChem CID10015222
Molecular FormulaC13H13N5O
Molecular Weight255.28 g/mol
Exact Mass255.11
IUPAC Name8-methyl-6-phenylmethoxy-7H-purin-2-amine
SMILESCc1nc2nc(N)nc(OCc3ccccc3)c2[nH]1
InChIInChI=1S/C13H13N5O/c1-8-15-10-11(16-8)17-13(14)18-12(10)19-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H3,14,15,16,17,18)
InChIKeyCSGNBFCPTIATBJ-UHFFFAOYSA-N
XLogP1.82
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(Phenylmethoxy)-9H-purin-2-amine
CID 4578
2-Anilino-6-cyclohexylmethoxypurine
CID 1540
6-Benzyloxypurine
CID 853677
7-phenylmethoxy-2H-triazolo[4,5-d]pyrimidin-5-amine
CID 6418797
6-((4-(Aminomethyl)benzyl)oxy)-9H-purin-2-amine
CID 25149605
O6-Substituted Guanine Deriv. 32
CID 5329516
6-((3-(Aminomethyl)benzyl)oxy)-9H-purin-2-amine
CID 24905366
O6-(R)-Roscovitine, R-2-(6-benzyloxy-9-isopropyl-9H-purin-2-ylamino)-butan-1-OL
CID 4369502
1-Amino-6-Cyclohex-3-Enylmethyloxypurine
CID 445967
6,7-Dimethyl-4-phenylmethoxypteridin-2-amine
CID 822237
1H-Purin-2-amine, 8-bromo-6-(phenylmethoxy)-
CID 9797127
1H-Purin-2-amine, 6-(phenylmethoxy)-8-(trifluoromethyl)-
CID 9972589

Frequently Asked Questions

What is the IUPAC name of 8-methyl-6-phenylmethoxy-7H-purin-2-amine?
The IUPAC name of 8-methyl-6-phenylmethoxy-7H-purin-2-amine (CID 10015222) is 8-methyl-6-phenylmethoxy-7H-purin-2-amine.
What is the SMILES notation for 8-methyl-6-phenylmethoxy-7H-purin-2-amine?
The canonical SMILES for 8-methyl-6-phenylmethoxy-7H-purin-2-amine is Cc1nc2nc(N)nc(OCc3ccccc3)c2[nH]1.
What is the InChIKey of 8-methyl-6-phenylmethoxy-7H-purin-2-amine?
The InChIKey is CSGNBFCPTIATBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O/c1-8-15-10-11(16-8)17-13(14)18-12(10)19-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H3,14,15,16,17,18).
What are the key properties of 8-methyl-6-phenylmethoxy-7H-purin-2-amine?
8-methyl-6-phenylmethoxy-7H-purin-2-amine has a molecular weight of 255.28 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-6-phenylmethoxy-7H-purin-2-amine is sourced from PubChem (CID 10015222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).