tert-butyl N-[4-(6-chloropyrimidin-4-yl)oxynaphthalen-1-yl]carbamate

C19H18ClN3O3 — CID 86711521

IUPACtert-butyl N-[4-(6-chloropyrimidin-4-yl)oxynaphthalen-1-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(Oc2cc(Cl)ncn2)c2ccccc12
InChIInChI=1S/C19H18ClN3O3/c1-19(2,3)26-18(24)23-14-8-9-15(13-7-5-4-6-12(13)14)25-17-10-16(20)21-11-22-17/h4-11H,1-3H3,(H,23,24)
InChIKeyNGNVJGDCQIPYJU-UHFFFAOYSA-N
MW371.82 g/mol
LogP5.42
Rot. Bonds3

About tert-butyl N-[4-(6-chloropyrimidin-4-yl)oxynaphthalen-1-yl]carbamate

tert-butyl N-[4-(6-chloropyrimidin-4-yl)oxynaphthalen-1-yl]carbamate (PubChem CID 86711521) has the molecular formula C19H18ClN3O3 and a molecular weight of 371.82 g/mol. Its IUPAC name is tert-butyl N-[4-(6-chloropyrimidin-4-yl)oxynaphthalen-1-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(6-chloropyrimidin-4-yl)oxynaphthalen-1-yl]carbamate
PubChem CID86711521
Molecular FormulaC19H18ClN3O3
Molecular Weight371.82 g/mol
Exact Mass371.10
IUPAC Nametert-butyl N-[4-(6-chloropyrimidin-4-yl)oxynaphthalen-1-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(Oc2cc(Cl)ncn2)c2ccccc12
InChIInChI=1S/C19H18ClN3O3/c1-19(2,3)26-18(24)23-14-8-9-15(13-7-5-4-6-12(13)14)25-17-10-16(20)21-11-22-17/h4-11H,1-3H3,(H,23,24)
InChIKeyNGNVJGDCQIPYJU-UHFFFAOYSA-N
XLogP5.42
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.82
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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tert-butyl N-[4-[(8-oxo-7,9-dihydropurin-6-yl)oxy]naphthalen-1-yl]carbamate
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[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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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-methyl-3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]naphthalen-1-yl]carbamate
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tert-butyl N-[2-(6-chloro-2-fluoropyrimidin-4-yl)oxyphenyl]carbamate
CID 133063547
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-[4-[2-[3-(2-hydroxyethylcarbamoyl)-2-methoxyanilino]pyrimidin-4-yl]oxynaphthalen-1-yl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(6-chloropyrimidin-4-yl)oxynaphthalen-1-yl]carbamate?
The IUPAC name of tert-butyl N-[4-(6-chloropyrimidin-4-yl)oxynaphthalen-1-yl]carbamate (CID 86711521) is tert-butyl N-[4-(6-chloropyrimidin-4-yl)oxynaphthalen-1-yl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(6-chloropyrimidin-4-yl)oxynaphthalen-1-yl]carbamate?
The canonical SMILES for tert-butyl N-[4-(6-chloropyrimidin-4-yl)oxynaphthalen-1-yl]carbamate is CC(C)(C)OC(=O)Nc1ccc(Oc2cc(Cl)ncn2)c2ccccc12.
What is the InChIKey of tert-butyl N-[4-(6-chloropyrimidin-4-yl)oxynaphthalen-1-yl]carbamate?
The InChIKey is NGNVJGDCQIPYJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O3/c1-19(2,3)26-18(24)23-14-8-9-15(13-7-5-4-6-12(13)14)25-17-10-16(20)21-11-22-17/h4-11H,1-3H3,(H,23,24).
What are the key properties of tert-butyl N-[4-(6-chloropyrimidin-4-yl)oxynaphthalen-1-yl]carbamate?
tert-butyl N-[4-(6-chloropyrimidin-4-yl)oxynaphthalen-1-yl]carbamate has a molecular weight of 371.82 g/mol, XLogP of 5.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(6-chloropyrimidin-4-yl)oxynaphthalen-1-yl]carbamate is sourced from PubChem (CID 86711521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).