methyl N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]carbamate

C14H15N3O3 — CID 108742490

IUPACmethyl N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]carbamate
SMILESCOC(=O)Nc1ccc(Oc2nc(C)cc(C)n2)cc1
InChIInChI=1S/C14H15N3O3/c1-9-8-10(2)16-13(15-9)20-12-6-4-11(5-7-12)17-14(18)19-3/h4-8H,1-3H3,(H,17,18)
InChIKeyPXHGLISOTRRFCD-UHFFFAOYSA-N
MW273.29 g/mol
LogP3.06
Rot. Bonds3

About methyl N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]carbamate

methyl N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]carbamate (PubChem CID 108742490) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is methyl N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]carbamate
PubChem CID108742490
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Namemethyl N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]carbamate
SMILESCOC(=O)Nc1ccc(Oc2nc(C)cc(C)n2)cc1
InChIInChI=1S/C14H15N3O3/c1-9-8-10(2)16-13(15-9)20-12-6-4-11(5-7-12)17-14(18)19-3/h4-8H,1-3H3,(H,17,18)
InChIKeyPXHGLISOTRRFCD-UHFFFAOYSA-N
XLogP3.06
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-2-methoxyacetamide
CID 108742534
methyl 2-[[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]carbamoyl]benzoate
CID 108742520
N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-2,5-difluorobenzamide
CID 108742551
N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-4-oxo-4-phenylbutanamide
CID 108742508
N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-2-(4-propan-2-ylphenoxy)propanamide
CID 108764994
2-(2,3-dimethylphenoxy)-N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]acetamide
CID 108764985
N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-4-methoxybenzenesulfonamide
CID 108783146
N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 108764948
N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-2-(methylsulfanylmethyl)-6-oxo-1H-pyrimidine-4-carboxamide
CID 136834716
methyl N-(4-sulfanylphenyl)carbamate
CID 603048
3-[4-[(4,6-dimethyl-2-pyridinyl)oxy]phenyl]-1,1-dimethylurea
CID 21391449
2-(4-bromophenoxy)-6-methylpyrimidine-4-carboxylic acid
CID 107554676

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]carbamate?
The IUPAC name of methyl N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]carbamate (CID 108742490) is methyl N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]carbamate.
What is the SMILES notation for methyl N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]carbamate?
The canonical SMILES for methyl N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]carbamate is COC(=O)Nc1ccc(Oc2nc(C)cc(C)n2)cc1.
What is the InChIKey of methyl N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]carbamate?
The InChIKey is PXHGLISOTRRFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-9-8-10(2)16-13(15-9)20-12-6-4-11(5-7-12)17-14(18)19-3/h4-8H,1-3H3,(H,17,18).
What are the key properties of methyl N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]carbamate?
methyl N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]carbamate has a molecular weight of 273.29 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]carbamate is sourced from PubChem (CID 108742490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).