(2-amino-6-phenylmethoxy-7H-purin-8-yl)methyl acetate

C15H15N5O3 — CID 146503029

IUPAC(2-amino-6-phenylmethoxy-7H-purin-8-yl)methyl acetate
SMILESCC(=O)OCc1nc2nc(N)nc(OCc3ccccc3)c2[nH]1
InChIInChI=1S/C15H15N5O3/c1-9(21)22-8-11-17-12-13(18-11)19-15(16)20-14(12)23-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H3,16,17,18,19,20)
InChIKeyXMNHBEITODTUJD-UHFFFAOYSA-N
MW313.32 g/mol
LogP1.58
Rot. Bonds5

About (2-amino-6-phenylmethoxy-7H-purin-8-yl)methyl acetate

(2-amino-6-phenylmethoxy-7H-purin-8-yl)methyl acetate (PubChem CID 146503029) has the molecular formula C15H15N5O3 and a molecular weight of 313.32 g/mol. Its IUPAC name is (2-amino-6-phenylmethoxy-7H-purin-8-yl)methyl acetate.

Molecular Properties

Compound Name(2-amino-6-phenylmethoxy-7H-purin-8-yl)methyl acetate
PubChem CID146503029
Molecular FormulaC15H15N5O3
Molecular Weight313.32 g/mol
Exact Mass313.12
IUPAC Name(2-amino-6-phenylmethoxy-7H-purin-8-yl)methyl acetate
SMILESCC(=O)OCc1nc2nc(N)nc(OCc3ccccc3)c2[nH]1
InChIInChI=1S/C15H15N5O3/c1-9(21)22-8-11-17-12-13(18-11)19-15(16)20-14(12)23-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H3,16,17,18,19,20)
InChIKeyXMNHBEITODTUJD-UHFFFAOYSA-N
XLogP1.58
TPSA116.01 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.32
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

benzyl acetate
CID 8785
methyl 2-[2-amino-6-[[4-(aminomethyl)phenyl]methoxy]-7H-purin-8-yl]propanoate
CID 143299537
6-phenylmethoxy-8-[(E)-2-thiophen-2-ylethenyl]-7H-purin-2-amine
CID 155902309
2,4-diamino-6-phenylmethoxypyrimidine-5-carboxamide
CID 16792148
2,8-dimethyl-6-phenylmethoxy-7H-purine
CID 22960895
benzyl acetate;carbamic acid
CID 159542161
benzyl acetate;molecular nitrogen
CID 174861862
N-[[3-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]methyl]acetamide
CID 71462400
benzyl acetate;formonitrile
CID 175329925
4-phenylmethoxy-1H-pyrazolo[5,4-d]pyrimidin-6-amine
CID 76847022
benzyl acetate;carbon monoxide;chromium
CID 11196913
2-amino-8-phenylmethoxy-1,7-dihydropurin-6-one;hydrochloride
CID 136934360

Frequently Asked Questions

What is the IUPAC name of (2-amino-6-phenylmethoxy-7H-purin-8-yl)methyl acetate?
The IUPAC name of (2-amino-6-phenylmethoxy-7H-purin-8-yl)methyl acetate (CID 146503029) is (2-amino-6-phenylmethoxy-7H-purin-8-yl)methyl acetate.
What is the SMILES notation for (2-amino-6-phenylmethoxy-7H-purin-8-yl)methyl acetate?
The canonical SMILES for (2-amino-6-phenylmethoxy-7H-purin-8-yl)methyl acetate is CC(=O)OCc1nc2nc(N)nc(OCc3ccccc3)c2[nH]1.
What is the InChIKey of (2-amino-6-phenylmethoxy-7H-purin-8-yl)methyl acetate?
The InChIKey is XMNHBEITODTUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O3/c1-9(21)22-8-11-17-12-13(18-11)19-15(16)20-14(12)23-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H3,16,17,18,19,20).
What are the key properties of (2-amino-6-phenylmethoxy-7H-purin-8-yl)methyl acetate?
(2-amino-6-phenylmethoxy-7H-purin-8-yl)methyl acetate has a molecular weight of 313.32 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-6-phenylmethoxy-7H-purin-8-yl)methyl acetate is sourced from PubChem (CID 146503029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).