(2R)-2-[2-(6-aminopurin-9-yl)ethoxy]-2-phosphanyl-1-(2,4,6-trimethylphenyl)ethanone

C18H22N5O2P — CID 174377844

IUPAC(2R)-2-[2-(6-aminopurin-9-yl)ethoxy]-2-phosphanyl-1-(2,4,6-trimethylphenyl)ethanone
SMILESCc1cc(C)c(C(=O)[C@@H](P)OCCn2cnc3c(N)ncnc32)c(C)c1
InChIInChI=1S/C18H22N5O2P/c1-10-6-11(2)13(12(3)7-10)15(24)18(26)25-5-4-23-9-22-14-16(19)20-8-21-17(14)23/h6-9,18H,4-5,26H2,1-3H3,(H2,19,20,21)/t18-/m1/s1
InChIKeyNNFHMDOZSDEKNC-GOSISDBHSA-N
MW371.38 g/mol
LogP2.43
Rot. Bonds6

About (2R)-2-[2-(6-aminopurin-9-yl)ethoxy]-2-phosphanyl-1-(2,4,6-trimethylphenyl)ethanone

(2R)-2-[2-(6-aminopurin-9-yl)ethoxy]-2-phosphanyl-1-(2,4,6-trimethylphenyl)ethanone (PubChem CID 174377844) has the molecular formula C18H22N5O2P and a molecular weight of 371.38 g/mol. Its IUPAC name is (2R)-2-[2-(6-aminopurin-9-yl)ethoxy]-2-phosphanyl-1-(2,4,6-trimethylphenyl)ethanone.

Molecular Properties

Compound Name(2R)-2-[2-(6-aminopurin-9-yl)ethoxy]-2-phosphanyl-1-(2,4,6-trimethylphenyl)ethanone
PubChem CID174377844
Molecular FormulaC18H22N5O2P
Molecular Weight371.38 g/mol
Exact Mass371.15
IUPAC Name(2R)-2-[2-(6-aminopurin-9-yl)ethoxy]-2-phosphanyl-1-(2,4,6-trimethylphenyl)ethanone
SMILESCc1cc(C)c(C(=O)[C@@H](P)OCCn2cnc3c(N)ncnc32)c(C)c1
InChIInChI=1S/C18H22N5O2P/c1-10-6-11(2)13(12(3)7-10)15(24)18(26)25-5-4-23-9-22-14-16(19)20-8-21-17(14)23/h6-9,18H,4-5,26H2,1-3H3,(H2,19,20,21)/t18-/m1/s1
InChIKeyNNFHMDOZSDEKNC-GOSISDBHSA-N
XLogP2.43
TPSA95.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.38
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(6-aminopurin-9-yl)ethoxy]-2-diethylphosphanylacetic acid
CID 141002966
9-[2-[2-(6-aminopurin-9-yl)ethoxy-methylphosphoryl]oxyethyl]purin-6-amine
CID 175273885
9-[2-(2-phosphanylethoxy)ethyl]purin-6-amine
CID 151693053
9-[2-[2-(dimethylamino)ethoxy]ethyl]purin-6-amine
CID 15334366
(2S)-2-amino-5-(6-aminopurin-9-yl)pentanoic acid
CID 15518562
9-(3-methoxy-2-phosphanylpropyl)purin-6-amine
CID 57195073
1-(6-aminopurin-9-yl)propan-2-one
CID 14258026
methyl 4-(6-aminopurin-9-yl)-2,3-dihydroxybutanoate
CID 585243
2-[2-(6-aminopurin-9-yl)ethoxy]ethylphosphonic acid
CID 513622
2-acetyloxy-4-(6-aminopurin-9-yl)butanoic acid
CID 163729575
ethyl 4-(6-aminopurin-9-yl)-3-oxobutanoate
CID 63899088
sodium;2-(6-aminopurin-9-yl)ethoxymethylphosphonic acid;hydride
CID 175088142

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-(6-aminopurin-9-yl)ethoxy]-2-phosphanyl-1-(2,4,6-trimethylphenyl)ethanone?
The IUPAC name of (2R)-2-[2-(6-aminopurin-9-yl)ethoxy]-2-phosphanyl-1-(2,4,6-trimethylphenyl)ethanone (CID 174377844) is (2R)-2-[2-(6-aminopurin-9-yl)ethoxy]-2-phosphanyl-1-(2,4,6-trimethylphenyl)ethanone.
What is the SMILES notation for (2R)-2-[2-(6-aminopurin-9-yl)ethoxy]-2-phosphanyl-1-(2,4,6-trimethylphenyl)ethanone?
The canonical SMILES for (2R)-2-[2-(6-aminopurin-9-yl)ethoxy]-2-phosphanyl-1-(2,4,6-trimethylphenyl)ethanone is Cc1cc(C)c(C(=O)[C@@H](P)OCCn2cnc3c(N)ncnc32)c(C)c1.
What is the InChIKey of (2R)-2-[2-(6-aminopurin-9-yl)ethoxy]-2-phosphanyl-1-(2,4,6-trimethylphenyl)ethanone?
The InChIKey is NNFHMDOZSDEKNC-GOSISDBHSA-N. The full InChI is InChI=1S/C18H22N5O2P/c1-10-6-11(2)13(12(3)7-10)15(24)18(26)25-5-4-23-9-22-14-16(19)20-8-21-17(14)23/h6-9,18H,4-5,26H2,1-3H3,(H2,19,20,21)/t18-/m1/s1.
What are the key properties of (2R)-2-[2-(6-aminopurin-9-yl)ethoxy]-2-phosphanyl-1-(2,4,6-trimethylphenyl)ethanone?
(2R)-2-[2-(6-aminopurin-9-yl)ethoxy]-2-phosphanyl-1-(2,4,6-trimethylphenyl)ethanone has a molecular weight of 371.38 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-(6-aminopurin-9-yl)ethoxy]-2-phosphanyl-1-(2,4,6-trimethylphenyl)ethanone is sourced from PubChem (CID 174377844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).