tert-butyl N-[4-[(8-oxo-7,9-dihydropurin-6-yl)oxy]naphthalen-1-yl]carbamate

C20H19N5O4 — CID 140610210

IUPACtert-butyl N-[4-[(8-oxo-7,9-dihydropurin-6-yl)oxy]naphthalen-1-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(Oc2ncnc3[nH]c(=O)[nH]c23)c2ccccc12
InChIInChI=1S/C20H19N5O4/c1-20(2,3)29-19(27)23-13-8-9-14(12-7-5-4-6-11(12)13)28-17-15-16(21-10-22-17)25-18(26)24-15/h4-10H,1-3H3,(H,23,27)(H2,21,22,24,25,26)
InChIKeyGIIZSCUGKVBZKE-UHFFFAOYSA-N
MW393.40 g/mol
LogP3.94
Rot. Bonds3

About tert-butyl N-[4-[(8-oxo-7,9-dihydropurin-6-yl)oxy]naphthalen-1-yl]carbamate

tert-butyl N-[4-[(8-oxo-7,9-dihydropurin-6-yl)oxy]naphthalen-1-yl]carbamate (PubChem CID 140610210) has the molecular formula C20H19N5O4 and a molecular weight of 393.40 g/mol. Its IUPAC name is tert-butyl N-[4-[(8-oxo-7,9-dihydropurin-6-yl)oxy]naphthalen-1-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[(8-oxo-7,9-dihydropurin-6-yl)oxy]naphthalen-1-yl]carbamate
PubChem CID140610210
Molecular FormulaC20H19N5O4
Molecular Weight393.40 g/mol
Exact Mass393.14
IUPAC Nametert-butyl N-[4-[(8-oxo-7,9-dihydropurin-6-yl)oxy]naphthalen-1-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(Oc2ncnc3[nH]c(=O)[nH]c23)c2ccccc12
InChIInChI=1S/C20H19N5O4/c1-20(2,3)29-19(27)23-13-8-9-14(12-7-5-4-6-11(12)13)28-17-15-16(21-10-22-17)25-18(26)24-15/h4-10H,1-3H3,(H,23,27)(H2,21,22,24,25,26)
InChIKeyGIIZSCUGKVBZKE-UHFFFAOYSA-N
XLogP3.94
TPSA121.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.40
LogP ≤ 53.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[4-[(8-oxo-7,9-dihydropurin-6-yl)oxy]naphthalen-1-yl]carbamate with MolForge

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Related Compounds

tert-butyl N-[4-(6-chloropyrimidin-4-yl)oxynaphthalen-1-yl]carbamate
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tert-butyl N-[4-[(2-methyl-3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]naphthalen-1-yl]carbamate
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tert-butyl N-[4-(cyanomethoxy)naphthalen-1-yl]carbamate
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tert-butyl N-[4-(3-chloropropoxy)naphthalen-1-yl]carbamate;4-(3-chloropropoxy)naphthalen-1-amine
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tert-butyl N-[4-[2-(aminomethyl)-6-methylpyrimidin-4-yl]oxynaphthalen-1-yl]carbamate
CID 20768855
[4-[(2-methylpropan-2-yl)oxycarbonylamino]naphthalen-1-yl] 2-iodo-2-methylpropanoate
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tert-butyl N-[4-[[2-(3,5-dimethylanilino)-4-pyridinyl]oxy]naphthalen-1-yl]carbamate
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1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]naphthalen-1-yl]urea
CID 46198207
tert-butyl N-[4-[[2-(3-carbamoyl-5-methoxyanilino)-4-pyridinyl]oxy]naphthalen-1-yl]carbamate
CID 140750477
tert-butyl N-(4-nitronaphthalen-1-yl)carbamate
CID 15544597
tert-butyl N-[2-[(2-oxo-1H-pyrimidin-6-yl)oxy]phenyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[(8-oxo-7,9-dihydropurin-6-yl)oxy]naphthalen-1-yl]carbamate?
The IUPAC name of tert-butyl N-[4-[(8-oxo-7,9-dihydropurin-6-yl)oxy]naphthalen-1-yl]carbamate (CID 140610210) is tert-butyl N-[4-[(8-oxo-7,9-dihydropurin-6-yl)oxy]naphthalen-1-yl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[(8-oxo-7,9-dihydropurin-6-yl)oxy]naphthalen-1-yl]carbamate?
The canonical SMILES for tert-butyl N-[4-[(8-oxo-7,9-dihydropurin-6-yl)oxy]naphthalen-1-yl]carbamate is CC(C)(C)OC(=O)Nc1ccc(Oc2ncnc3[nH]c(=O)[nH]c23)c2ccccc12.
What is the InChIKey of tert-butyl N-[4-[(8-oxo-7,9-dihydropurin-6-yl)oxy]naphthalen-1-yl]carbamate?
The InChIKey is GIIZSCUGKVBZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O4/c1-20(2,3)29-19(27)23-13-8-9-14(12-7-5-4-6-11(12)13)28-17-15-16(21-10-22-17)25-18(26)24-15/h4-10H,1-3H3,(H,23,27)(H2,21,22,24,25,26).
What are the key properties of tert-butyl N-[4-[(8-oxo-7,9-dihydropurin-6-yl)oxy]naphthalen-1-yl]carbamate?
tert-butyl N-[4-[(8-oxo-7,9-dihydropurin-6-yl)oxy]naphthalen-1-yl]carbamate has a molecular weight of 393.40 g/mol, XLogP of 3.94, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[(8-oxo-7,9-dihydropurin-6-yl)oxy]naphthalen-1-yl]carbamate is sourced from PubChem (CID 140610210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).