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

C20H21N3O3 — CID 144573046

IUPACtert-butyl N-[4-(6-methylpyrimidin-4-yl)oxynaphthalen-1-yl]carbamate
SMILESCc1cc(Oc2ccc(NC(=O)OC(C)(C)C)c3ccccc23)ncn1
InChIInChI=1S/C20H21N3O3/c1-13-11-18(22-12-21-13)25-17-10-9-16(14-7-5-6-8-15(14)17)23-19(24)26-20(2,3)4/h5-12H,1-4H3,(H,23,24)
InChIKeyWZXUXPVURFJFPO-UHFFFAOYSA-N
MW351.41 g/mol
LogP5.08
Rot. Bonds3

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

tert-butyl N-[4-(6-methylpyrimidin-4-yl)oxynaphthalen-1-yl]carbamate (PubChem CID 144573046) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is tert-butyl N-[4-(6-methylpyrimidin-4-yl)oxynaphthalen-1-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(6-methylpyrimidin-4-yl)oxynaphthalen-1-yl]carbamate
PubChem CID144573046
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Nametert-butyl N-[4-(6-methylpyrimidin-4-yl)oxynaphthalen-1-yl]carbamate
SMILESCc1cc(Oc2ccc(NC(=O)OC(C)(C)C)c3ccccc23)ncn1
InChIInChI=1S/C20H21N3O3/c1-13-11-18(22-12-21-13)25-17-10-9-16(14-7-5-6-8-15(14)17)23-19(24)26-20(2,3)4/h5-12H,1-4H3,(H,23,24)
InChIKeyWZXUXPVURFJFPO-UHFFFAOYSA-N
XLogP5.08
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.41
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[4-(6-chloropyrimidin-4-yl)oxynaphthalen-1-yl]carbamate
CID 86711521
tert-butyl N-[4-[2-(aminomethyl)-6-methylpyrimidin-4-yl]oxynaphthalen-1-yl]carbamate
CID 20768855
tert-butyl N-[4-[(8-oxo-7,9-dihydropurin-6-yl)oxy]naphthalen-1-yl]carbamate
CID 140610210
tert-butyl N-[4-(cyanomethoxy)naphthalen-1-yl]carbamate
CID 59553417
tert-butyl N-[4-[[2-(3,5-dimethylanilino)-4-pyridinyl]oxy]naphthalen-1-yl]carbamate
CID 140750480
[4-[(2-methylpropan-2-yl)oxycarbonylamino]naphthalen-1-yl] 2-iodo-2-methylpropanoate
CID 162509514
tert-butyl N-[4-[(2-methyl-3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]naphthalen-1-yl]carbamate
CID 46900747
tert-butyl N-[4-(3-chloropropoxy)naphthalen-1-yl]carbamate;4-(3-chloropropoxy)naphthalen-1-amine
CID 157060860
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
1-(5-tert-butyl-2-methoxyphenyl)-3-[4-(2,6-dimethylpyrimidin-4-yl)oxynaphthalen-1-yl]urea
CID 10298895
tert-butyl N-[4-[2-[3-(2-hydroxyethylcarbamoyl)-2-methoxyanilino]pyrimidin-4-yl]oxynaphthalen-1-yl]carbamate
CID 140634843

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(6-methylpyrimidin-4-yl)oxynaphthalen-1-yl]carbamate?
The IUPAC name of tert-butyl N-[4-(6-methylpyrimidin-4-yl)oxynaphthalen-1-yl]carbamate (CID 144573046) is tert-butyl N-[4-(6-methylpyrimidin-4-yl)oxynaphthalen-1-yl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(6-methylpyrimidin-4-yl)oxynaphthalen-1-yl]carbamate?
The canonical SMILES for tert-butyl N-[4-(6-methylpyrimidin-4-yl)oxynaphthalen-1-yl]carbamate is Cc1cc(Oc2ccc(NC(=O)OC(C)(C)C)c3ccccc23)ncn1.
What is the InChIKey of tert-butyl N-[4-(6-methylpyrimidin-4-yl)oxynaphthalen-1-yl]carbamate?
The InChIKey is WZXUXPVURFJFPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-13-11-18(22-12-21-13)25-17-10-9-16(14-7-5-6-8-15(14)17)23-19(24)26-20(2,3)4/h5-12H,1-4H3,(H,23,24).
What are the key properties of tert-butyl N-[4-(6-methylpyrimidin-4-yl)oxynaphthalen-1-yl]carbamate?
tert-butyl N-[4-(6-methylpyrimidin-4-yl)oxynaphthalen-1-yl]carbamate has a molecular weight of 351.41 g/mol, XLogP of 5.08, 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-methylpyrimidin-4-yl)oxynaphthalen-1-yl]carbamate is sourced from PubChem (CID 144573046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).