1-[(2-methoxyphenyl)-(7H-purin-6-ylamino)methyl]naphthalen-2-ol

C23H19N5O2 — CID 132547241

IUPAC1-[(2-methoxyphenyl)-(7H-purin-6-ylamino)methyl]naphthalen-2-ol
SMILESCOc1ccccc1C(Nc1ncnc2nc[nH]c12)c1c(O)ccc2ccccc12
InChIInChI=1S/C23H19N5O2/c1-30-18-9-5-4-8-16(18)20(28-23-21-22(25-12-24-21)26-13-27-23)19-15-7-3-2-6-14(15)10-11-17(19)29/h2-13,20,29H,1H3,(H2,24,25,26,27,28)
InChIKeyODAADHIVMOERCS-UHFFFAOYSA-N
MW397.44 g/mol
LogP4.42
Rot. Bonds5

About 1-[(2-methoxyphenyl)-(7H-purin-6-ylamino)methyl]naphthalen-2-ol

1-[(2-methoxyphenyl)-(7H-purin-6-ylamino)methyl]naphthalen-2-ol (PubChem CID 132547241) has the molecular formula C23H19N5O2 and a molecular weight of 397.44 g/mol. Its IUPAC name is 1-[(2-methoxyphenyl)-(7H-purin-6-ylamino)methyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[(2-methoxyphenyl)-(7H-purin-6-ylamino)methyl]naphthalen-2-ol
PubChem CID132547241
Molecular FormulaC23H19N5O2
Molecular Weight397.44 g/mol
Exact Mass397.15
IUPAC Name1-[(2-methoxyphenyl)-(7H-purin-6-ylamino)methyl]naphthalen-2-ol
SMILESCOc1ccccc1C(Nc1ncnc2nc[nH]c12)c1c(O)ccc2ccccc12
InChIInChI=1S/C23H19N5O2/c1-30-18-9-5-4-8-16(18)20(28-23-21-22(25-12-24-21)26-13-27-23)19-15-7-3-2-6-14(15)10-11-17(19)29/h2-13,20,29H,1H3,(H2,24,25,26,27,28)
InChIKeyODAADHIVMOERCS-UHFFFAOYSA-N
XLogP4.42
TPSA95.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 54.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

1-[1-(7H-purin-6-ylamino)butyl]naphthalen-2-ol
CID 132547243
4-methoxy-2-[(7H-purin-6-ylamino)methyl]benzene-1,3-diol
CID 69243109
4-methoxy-3-[(7H-purin-6-ylamino)methyl]benzene-1,2-diol
CID 123322677
N-[(2-hydroxynaphthalen-1-yl)-(2-methoxyphenyl)methyl]pentanamide
CID 3129256
4,5-dimethoxy-2-[(7H-purin-6-ylamino)methyl]phenol
CID 123991801
N-[1-(2-methoxyphenyl)propyl]-7H-purine-6-carboxamide
CID 154796478
8-methoxynaphthalen-2-ol;6-pyrrolidin-1-yl-7H-purine
CID 143922929
N-[(2,3-dimethoxyphenyl)-(2-hydroxynaphthalen-1-yl)methyl]benzamide
CID 71733407
N-[(1R)-1-phenylethyl]-7H-purin-6-amine
CID 2155048
[1-oxo-1-(7H-purin-6-ylamino)propan-2-yl] 2,6-dimethoxybenzoate
CID 154759303
2,3,5-trimethoxy-6-[(7H-purin-6-ylamino)methyl]phenol
CID 90450176
N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-7H-purin-6-amine
CID 94145841

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxyphenyl)-(7H-purin-6-ylamino)methyl]naphthalen-2-ol?
The IUPAC name of 1-[(2-methoxyphenyl)-(7H-purin-6-ylamino)methyl]naphthalen-2-ol (CID 132547241) is 1-[(2-methoxyphenyl)-(7H-purin-6-ylamino)methyl]naphthalen-2-ol.
What is the SMILES notation for 1-[(2-methoxyphenyl)-(7H-purin-6-ylamino)methyl]naphthalen-2-ol?
The canonical SMILES for 1-[(2-methoxyphenyl)-(7H-purin-6-ylamino)methyl]naphthalen-2-ol is COc1ccccc1C(Nc1ncnc2nc[nH]c12)c1c(O)ccc2ccccc12.
What is the InChIKey of 1-[(2-methoxyphenyl)-(7H-purin-6-ylamino)methyl]naphthalen-2-ol?
The InChIKey is ODAADHIVMOERCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O2/c1-30-18-9-5-4-8-16(18)20(28-23-21-22(25-12-24-21)26-13-27-23)19-15-7-3-2-6-14(15)10-11-17(19)29/h2-13,20,29H,1H3,(H2,24,25,26,27,28).
What are the key properties of 1-[(2-methoxyphenyl)-(7H-purin-6-ylamino)methyl]naphthalen-2-ol?
1-[(2-methoxyphenyl)-(7H-purin-6-ylamino)methyl]naphthalen-2-ol has a molecular weight of 397.44 g/mol, XLogP of 4.42, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxyphenyl)-(7H-purin-6-ylamino)methyl]naphthalen-2-ol is sourced from PubChem (CID 132547241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).