methyl 2-[2-amino-6-[[4-(aminomethyl)phenyl]methoxy]-7H-purin-8-yl]propanoate

C17H20N6O3 — CID 143299537

IUPACmethyl 2-[2-amino-6-[[4-(aminomethyl)phenyl]methoxy]-7H-purin-8-yl]propanoate
SMILESCOC(=O)C(C)c1nc2nc(N)nc(OCc3ccc(CN)cc3)c2[nH]1
InChIInChI=1S/C17H20N6O3/c1-9(16(24)25-2)13-20-12-14(21-13)22-17(19)23-15(12)26-8-11-5-3-10(7-18)4-6-11/h3-6,9H,7-8,18H2,1-2H3,(H3,19,20,21,22,23)
InChIKeyLHZNHNHSDZYTCJ-UHFFFAOYSA-N
MW356.39 g/mol
LogP1.25
Rot. Bonds6

About methyl 2-[2-amino-6-[[4-(aminomethyl)phenyl]methoxy]-7H-purin-8-yl]propanoate

methyl 2-[2-amino-6-[[4-(aminomethyl)phenyl]methoxy]-7H-purin-8-yl]propanoate (PubChem CID 143299537) has the molecular formula C17H20N6O3 and a molecular weight of 356.39 g/mol. Its IUPAC name is methyl 2-[2-amino-6-[[4-(aminomethyl)phenyl]methoxy]-7H-purin-8-yl]propanoate.

Molecular Properties

Compound Namemethyl 2-[2-amino-6-[[4-(aminomethyl)phenyl]methoxy]-7H-purin-8-yl]propanoate
PubChem CID143299537
Molecular FormulaC17H20N6O3
Molecular Weight356.39 g/mol
Exact Mass356.16
IUPAC Namemethyl 2-[2-amino-6-[[4-(aminomethyl)phenyl]methoxy]-7H-purin-8-yl]propanoate
SMILESCOC(=O)C(C)c1nc2nc(N)nc(OCc3ccc(CN)cc3)c2[nH]1
InChIInChI=1S/C17H20N6O3/c1-9(16(24)25-2)13-20-12-14(21-13)22-17(19)23-15(12)26-8-11-5-3-10(7-18)4-6-11/h3-6,9H,7-8,18H2,1-2H3,(H3,19,20,21,22,23)
InChIKeyLHZNHNHSDZYTCJ-UHFFFAOYSA-N
XLogP1.25
TPSA142.03 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze methyl 2-[2-amino-6-[[4-(aminomethyl)phenyl]methoxy]-7H-purin-8-yl]propanoate with MolForge

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Related Compounds

(2-amino-6-phenylmethoxy-7H-purin-8-yl)methyl acetate
CID 146503029
6-[[4-(2-aminoethyl)phenyl]methoxy]-7H-purin-2-amine
CID 146985461
N-[[3-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]methyl]acetamide
CID 71462400
dimethyl 2-[2-amino-6-[[4-(azidomethyl)phenyl]methoxy]-7H-purin-1-ium-8-yl]propanedioate
CID 123359716
4-[(2-amino-7H-purin-6-yl)oxymethyl]benzaldehyde
CID 10107108
N'-[[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]methyl]-N-propylpentanediamide
CID 144895016
N-[[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]methyl]pent-4-ynamide
CID 126713585
[4-(aminomethyl)phenyl]methyl 2-methylpropanoate
CID 166101467
N'-[[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]methyl]-N-[2-(2-methoxyethyldisulfanyl)ethyl]pentanediamide
CID 123949645
6-phenylmethoxy-8-[(E)-2-thiophen-2-ylethenyl]-7H-purin-2-amine
CID 155902309
6-[(3-aminophenyl)methoxy]-7H-purin-2-amine
CID 5329517
6-[(3-chlorophenyl)methoxy]-7H-purin-2-amine
CID 5329518

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-amino-6-[[4-(aminomethyl)phenyl]methoxy]-7H-purin-8-yl]propanoate?
The IUPAC name of methyl 2-[2-amino-6-[[4-(aminomethyl)phenyl]methoxy]-7H-purin-8-yl]propanoate (CID 143299537) is methyl 2-[2-amino-6-[[4-(aminomethyl)phenyl]methoxy]-7H-purin-8-yl]propanoate.
What is the SMILES notation for methyl 2-[2-amino-6-[[4-(aminomethyl)phenyl]methoxy]-7H-purin-8-yl]propanoate?
The canonical SMILES for methyl 2-[2-amino-6-[[4-(aminomethyl)phenyl]methoxy]-7H-purin-8-yl]propanoate is COC(=O)C(C)c1nc2nc(N)nc(OCc3ccc(CN)cc3)c2[nH]1.
What is the InChIKey of methyl 2-[2-amino-6-[[4-(aminomethyl)phenyl]methoxy]-7H-purin-8-yl]propanoate?
The InChIKey is LHZNHNHSDZYTCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O3/c1-9(16(24)25-2)13-20-12-14(21-13)22-17(19)23-15(12)26-8-11-5-3-10(7-18)4-6-11/h3-6,9H,7-8,18H2,1-2H3,(H3,19,20,21,22,23).
What are the key properties of methyl 2-[2-amino-6-[[4-(aminomethyl)phenyl]methoxy]-7H-purin-8-yl]propanoate?
methyl 2-[2-amino-6-[[4-(aminomethyl)phenyl]methoxy]-7H-purin-8-yl]propanoate has a molecular weight of 356.39 g/mol, XLogP of 1.25, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-amino-6-[[4-(aminomethyl)phenyl]methoxy]-7H-purin-8-yl]propanoate is sourced from PubChem (CID 143299537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).