6-methoxy-9-[2-(phenylmethoxyphosphanylmethoxy)ethyl]purin-2-amine

C16H20N5O3P — CID 177172491

IUPAC6-methoxy-9-[2-(phenylmethoxyphosphanylmethoxy)ethyl]purin-2-amine
SMILESCOc1nc(N)nc2c1ncn2CCOCPOCc1ccccc1
InChIInChI=1S/C16H20N5O3P/c1-22-15-13-14(19-16(17)20-15)21(10-18-13)7-8-23-11-25-24-9-12-5-3-2-4-6-12/h2-6,10,25H,7-9,11H2,1H3,(H2,17,19,20)
InChIKeyCWKPMZHEXXBMNO-UHFFFAOYSA-N
MW361.34 g/mol
LogP2.20
Rot. Bonds9

About 6-methoxy-9-[2-(phenylmethoxyphosphanylmethoxy)ethyl]purin-2-amine

6-methoxy-9-[2-(phenylmethoxyphosphanylmethoxy)ethyl]purin-2-amine (PubChem CID 177172491) has the molecular formula C16H20N5O3P and a molecular weight of 361.34 g/mol. Its IUPAC name is 6-methoxy-9-[2-(phenylmethoxyphosphanylmethoxy)ethyl]purin-2-amine.

Molecular Properties

Compound Name6-methoxy-9-[2-(phenylmethoxyphosphanylmethoxy)ethyl]purin-2-amine
PubChem CID177172491
Molecular FormulaC16H20N5O3P
Molecular Weight361.34 g/mol
Exact Mass361.13
IUPAC Name6-methoxy-9-[2-(phenylmethoxyphosphanylmethoxy)ethyl]purin-2-amine
SMILESCOc1nc(N)nc2c1ncn2CCOCPOCc1ccccc1
InChIInChI=1S/C16H20N5O3P/c1-22-15-13-14(19-16(17)20-15)21(10-18-13)7-8-23-11-25-24-9-12-5-3-2-4-6-12/h2-6,10,25H,7-9,11H2,1H3,(H2,17,19,20)
InChIKeyCWKPMZHEXXBMNO-UHFFFAOYSA-N
XLogP2.20
TPSA97.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.34
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-(2-amino-6-methoxypurin-9-yl)ethoxymethyl-methylphosphinic acid;9-[2-[bis(phenylmethoxy)phosphorylmethoxy]ethyl]-6-methoxypurin-2-amine
CID 160868861
ethyl (2R)-2-[[2-(2-amino-6-methoxypurin-9-yl)ethoxymethyl-phenylmethoxyphosphanyl]amino]propanoate
CID 177169827
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
(2-amino-6-phenylmethoxypurin-9-yl)methanol
CID 91583081
(2S)-1-(2-amino-6-phenylmethoxypurin-9-yl)-3-methoxypropan-2-ol
CID 67451064
methyl 2-(2-amino-6-phenylmethoxypurin-9-yl)acetate
CID 10425718
9-[2-(2-diethoxyphosphorylpropan-2-yloxy)ethyl]-6-phenylmethoxypurin-2-amine
CID 15667236
9-benzyl-2,6-dimethoxypurine
CID 141432217
9-[[(2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]methyl]-6-phenylmethoxypurin-2-amine
CID 11801419
9-[2-(methoxyphosphanylmethoxy)ethyl]purin-2-amine
CID 143852222
2-(2-amino-6-methoxypurin-9-yl)ethoxymethyl-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxy]phosphinic acid
CID 118968337

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-9-[2-(phenylmethoxyphosphanylmethoxy)ethyl]purin-2-amine?
The IUPAC name of 6-methoxy-9-[2-(phenylmethoxyphosphanylmethoxy)ethyl]purin-2-amine (CID 177172491) is 6-methoxy-9-[2-(phenylmethoxyphosphanylmethoxy)ethyl]purin-2-amine.
What is the SMILES notation for 6-methoxy-9-[2-(phenylmethoxyphosphanylmethoxy)ethyl]purin-2-amine?
The canonical SMILES for 6-methoxy-9-[2-(phenylmethoxyphosphanylmethoxy)ethyl]purin-2-amine is COc1nc(N)nc2c1ncn2CCOCPOCc1ccccc1.
What is the InChIKey of 6-methoxy-9-[2-(phenylmethoxyphosphanylmethoxy)ethyl]purin-2-amine?
The InChIKey is CWKPMZHEXXBMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N5O3P/c1-22-15-13-14(19-16(17)20-15)21(10-18-13)7-8-23-11-25-24-9-12-5-3-2-4-6-12/h2-6,10,25H,7-9,11H2,1H3,(H2,17,19,20).
What are the key properties of 6-methoxy-9-[2-(phenylmethoxyphosphanylmethoxy)ethyl]purin-2-amine?
6-methoxy-9-[2-(phenylmethoxyphosphanylmethoxy)ethyl]purin-2-amine has a molecular weight of 361.34 g/mol, XLogP of 2.20, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-9-[2-(phenylmethoxyphosphanylmethoxy)ethyl]purin-2-amine is sourced from PubChem (CID 177172491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).