phenyl N-(4-ethyl-6-methoxypyrimidin-2-yl)carbamate

C14H15N3O3 — CID 21467947

IUPACphenyl N-(4-ethyl-6-methoxypyrimidin-2-yl)carbamate
SMILESCCc1cc(OC)nc(NC(=O)Oc2ccccc2)n1
InChIInChI=1S/C14H15N3O3/c1-3-10-9-12(19-2)16-13(15-10)17-14(18)20-11-7-5-4-6-8-11/h4-9H,3H2,1-2H3,(H,15,16,17,18)
InChIKeyVVOOKYDDFQYHBA-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.66
Rot. Bonds4

About phenyl N-(4-ethyl-6-methoxypyrimidin-2-yl)carbamate

phenyl N-(4-ethyl-6-methoxypyrimidin-2-yl)carbamate (PubChem CID 21467947) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is phenyl N-(4-ethyl-6-methoxypyrimidin-2-yl)carbamate.

Molecular Properties

Compound Namephenyl N-(4-ethyl-6-methoxypyrimidin-2-yl)carbamate
PubChem CID21467947
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Namephenyl N-(4-ethyl-6-methoxypyrimidin-2-yl)carbamate
SMILESCCc1cc(OC)nc(NC(=O)Oc2ccccc2)n1
InChIInChI=1S/C14H15N3O3/c1-3-10-9-12(19-2)16-13(15-10)17-14(18)20-11-7-5-4-6-8-11/h4-9H,3H2,1-2H3,(H,15,16,17,18)
InChIKeyVVOOKYDDFQYHBA-UHFFFAOYSA-N
XLogP2.66
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

phenyl N-(6-methoxypyrazin-2-yl)carbamate
CID 66875760
phenyl N-(6-methoxypyrimidin-4-yl)carbamate
CID 66833981
phenyl N-(3-ethyl-1-propan-2-ylpyrazol-5-yl)carbamate
CID 69410368
N-(4,6-dimethoxypyrimidin-2-yl)benzamide
CID 4270193
phenyl N-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]carbamate
CID 174351013
4-methoxy-N-phenyl-6-propylpyrimidin-2-amine
CID 15615508
N-(4,6-dimethoxypyrimidin-2-yl)-2-phenylpropanamide
CID 71620621
phenyl N-(4-methoxy-5-methylpyrimidin-2-yl)carbamate
CID 67824669
2-anilino-N-(4,6-dimethoxypyrimidin-2-yl)acetamide
CID 103606554
phenyl N-(2-ethoxy-5-ethyl-6-methyl-3-pyridinyl)carbamate
CID 18663163
phenyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyloxy]benzoate
CID 155521795
2-[[(4-methoxy-6-methylpyrimidin-2-yl)carbamoylamino]-sulfonylmethyl]benzoic acid
CID 88700432

Frequently Asked Questions

What is the IUPAC name of phenyl N-(4-ethyl-6-methoxypyrimidin-2-yl)carbamate?
The IUPAC name of phenyl N-(4-ethyl-6-methoxypyrimidin-2-yl)carbamate (CID 21467947) is phenyl N-(4-ethyl-6-methoxypyrimidin-2-yl)carbamate.
What is the SMILES notation for phenyl N-(4-ethyl-6-methoxypyrimidin-2-yl)carbamate?
The canonical SMILES for phenyl N-(4-ethyl-6-methoxypyrimidin-2-yl)carbamate is CCc1cc(OC)nc(NC(=O)Oc2ccccc2)n1.
What is the InChIKey of phenyl N-(4-ethyl-6-methoxypyrimidin-2-yl)carbamate?
The InChIKey is VVOOKYDDFQYHBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-3-10-9-12(19-2)16-13(15-10)17-14(18)20-11-7-5-4-6-8-11/h4-9H,3H2,1-2H3,(H,15,16,17,18).
What are the key properties of phenyl N-(4-ethyl-6-methoxypyrimidin-2-yl)carbamate?
phenyl N-(4-ethyl-6-methoxypyrimidin-2-yl)carbamate has a molecular weight of 273.29 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-(4-ethyl-6-methoxypyrimidin-2-yl)carbamate is sourced from PubChem (CID 21467947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).