phenyl N-(4-methoxy-5-methylpyrimidin-2-yl)carbamate

C13H13N3O3 — CID 67824669

IUPACphenyl N-(4-methoxy-5-methylpyrimidin-2-yl)carbamate
SMILESCOc1nc(NC(=O)Oc2ccccc2)ncc1C
InChIInChI=1S/C13H13N3O3/c1-9-8-14-12(15-11(9)18-2)16-13(17)19-10-6-4-3-5-7-10/h3-8H,1-2H3,(H,14,15,16,17)
InChIKeyBASPLWGMBMWLQP-UHFFFAOYSA-N
MW259.27 g/mol
LogP2.40
Rot. Bonds3

About phenyl N-(4-methoxy-5-methylpyrimidin-2-yl)carbamate

phenyl N-(4-methoxy-5-methylpyrimidin-2-yl)carbamate (PubChem CID 67824669) has the molecular formula C13H13N3O3 and a molecular weight of 259.27 g/mol. Its IUPAC name is phenyl N-(4-methoxy-5-methylpyrimidin-2-yl)carbamate.

Molecular Properties

Compound Namephenyl N-(4-methoxy-5-methylpyrimidin-2-yl)carbamate
PubChem CID67824669
Molecular FormulaC13H13N3O3
Molecular Weight259.27 g/mol
Exact Mass259.10
IUPAC Namephenyl N-(4-methoxy-5-methylpyrimidin-2-yl)carbamate
SMILESCOc1nc(NC(=O)Oc2ccccc2)ncc1C
InChIInChI=1S/C13H13N3O3/c1-9-8-14-12(15-11(9)18-2)16-13(17)19-10-6-4-3-5-7-10/h3-8H,1-2H3,(H,14,15,16,17)
InChIKeyBASPLWGMBMWLQP-UHFFFAOYSA-N
XLogP2.40
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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phenyl N-(4-ethyl-6-methoxypyrimidin-2-yl)carbamate
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phenyl N-(3-methoxy-4-methyl-1-phenylpyrazol-5-yl)carbamate
CID 90168580
phenyl N-[5-(3,5-difluorophenyl)pyrimidin-2-yl]carbamate
CID 20829965
2-[(4-methoxy-5-methylpyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylbenzamide
CID 70594239
phenyl N-phenoxycarbonylcarbamate
CID 11043392
phenyl N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)carbamate
CID 108727693
phenyl N-(6-methoxypyrimidin-4-yl)carbamate
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4-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidine-5-carboxylic acid
CID 167738680
[4-(2-methoxyphenoxy)-5-methylpyrimidin-2-yl]hydrazine
CID 80917253

Frequently Asked Questions

What is the IUPAC name of phenyl N-(4-methoxy-5-methylpyrimidin-2-yl)carbamate?
The IUPAC name of phenyl N-(4-methoxy-5-methylpyrimidin-2-yl)carbamate (CID 67824669) is phenyl N-(4-methoxy-5-methylpyrimidin-2-yl)carbamate.
What is the SMILES notation for phenyl N-(4-methoxy-5-methylpyrimidin-2-yl)carbamate?
The canonical SMILES for phenyl N-(4-methoxy-5-methylpyrimidin-2-yl)carbamate is COc1nc(NC(=O)Oc2ccccc2)ncc1C.
What is the InChIKey of phenyl N-(4-methoxy-5-methylpyrimidin-2-yl)carbamate?
The InChIKey is BASPLWGMBMWLQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3/c1-9-8-14-12(15-11(9)18-2)16-13(17)19-10-6-4-3-5-7-10/h3-8H,1-2H3,(H,14,15,16,17).
What are the key properties of phenyl N-(4-methoxy-5-methylpyrimidin-2-yl)carbamate?
phenyl N-(4-methoxy-5-methylpyrimidin-2-yl)carbamate has a molecular weight of 259.27 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-(4-methoxy-5-methylpyrimidin-2-yl)carbamate is sourced from PubChem (CID 67824669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).