methyl 2-(2-amino-6-phenylmethoxypurin-9-yl)acetate

C15H15N5O3 — CID 10425718

IUPACmethyl 2-(2-amino-6-phenylmethoxypurin-9-yl)acetate
SMILESCOC(=O)Cn1cnc2c(OCc3ccccc3)nc(N)nc21
InChIInChI=1S/C15H15N5O3/c1-22-11(21)7-20-9-17-12-13(20)18-15(16)19-14(12)23-8-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H2,16,18,19)
InChIKeyLYQALQRHBAWZAU-UHFFFAOYSA-N
MW313.32 g/mol
LogP1.16
Rot. Bonds5

About methyl 2-(2-amino-6-phenylmethoxypurin-9-yl)acetate

methyl 2-(2-amino-6-phenylmethoxypurin-9-yl)acetate (PubChem CID 10425718) has the molecular formula C15H15N5O3 and a molecular weight of 313.32 g/mol. Its IUPAC name is methyl 2-(2-amino-6-phenylmethoxypurin-9-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(2-amino-6-phenylmethoxypurin-9-yl)acetate
PubChem CID10425718
Molecular FormulaC15H15N5O3
Molecular Weight313.32 g/mol
Exact Mass313.12
IUPAC Namemethyl 2-(2-amino-6-phenylmethoxypurin-9-yl)acetate
SMILESCOC(=O)Cn1cnc2c(OCc3ccccc3)nc(N)nc21
InChIInChI=1S/C15H15N5O3/c1-22-11(21)7-20-9-17-12-13(20)18-15(16)19-14(12)23-8-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H2,16,18,19)
InChIKeyLYQALQRHBAWZAU-UHFFFAOYSA-N
XLogP1.16
TPSA105.15 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.32
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

(2-amino-6-phenylmethoxypurin-9-yl)methanol
CID 91583081
(2S)-1-(2-amino-6-phenylmethoxypurin-9-yl)-3-methoxypropan-2-ol
CID 67451064
(3S)-4-(2-amino-6-phenylmethoxypurin-9-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 101219528
methyl 2-[2-amino-6-(2-methoxy-2-oxoethyl)sulfanylpurin-9-yl]acetate
CID 118949205
9-[2-(2-diethoxyphosphorylpropan-2-yloxy)ethyl]-6-phenylmethoxypurin-2-amine
CID 15667236
3-[3-(2-amino-6-phenylmethoxypurin-9-yl)propyl]-1-(2-chloroethyl)-1-nitrosourea
CID 86342466
9-[[(2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]methyl]-6-phenylmethoxypurin-2-amine
CID 11801419
2-[2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-phenylmethoxypurin-9-yl]acetic acid
CID 24879829
6-methoxy-9-[2-(phenylmethoxyphosphanylmethoxy)ethyl]purin-2-amine
CID 177172491
ethyl (2S)-2-[[2-(2-amino-6-methoxypurin-9-yl)ethoxymethyl-phenylmethoxyphosphoryl]amino]propanoate
CID 170738027
ethyl 2-[[2-(2-amino-6-methoxypurin-9-yl)ethoxymethyl-phenylmethoxyphosphoryl]amino]propanoate
CID 134182935
(2R,4R,5R)-2-(2-amino-6-phenylmethoxypurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 71313823

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-amino-6-phenylmethoxypurin-9-yl)acetate?
The IUPAC name of methyl 2-(2-amino-6-phenylmethoxypurin-9-yl)acetate (CID 10425718) is methyl 2-(2-amino-6-phenylmethoxypurin-9-yl)acetate.
What is the SMILES notation for methyl 2-(2-amino-6-phenylmethoxypurin-9-yl)acetate?
The canonical SMILES for methyl 2-(2-amino-6-phenylmethoxypurin-9-yl)acetate is COC(=O)Cn1cnc2c(OCc3ccccc3)nc(N)nc21.
What is the InChIKey of methyl 2-(2-amino-6-phenylmethoxypurin-9-yl)acetate?
The InChIKey is LYQALQRHBAWZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O3/c1-22-11(21)7-20-9-17-12-13(20)18-15(16)19-14(12)23-8-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H2,16,18,19).
What are the key properties of methyl 2-(2-amino-6-phenylmethoxypurin-9-yl)acetate?
methyl 2-(2-amino-6-phenylmethoxypurin-9-yl)acetate has a molecular weight of 313.32 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-amino-6-phenylmethoxypurin-9-yl)acetate is sourced from PubChem (CID 10425718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).