ethyl N-(4,6-dimethylpyrimidin-2-yl)carbamate

C9H13N3O2 — CID 51056605

IUPACethyl N-(4,6-dimethylpyrimidin-2-yl)carbamate
SMILESCCOC(=O)Nc1nc(C)cc(C)n1
InChIInChI=1S/C9H13N3O2/c1-4-14-9(13)12-8-10-6(2)5-7(3)11-8/h5H,4H2,1-3H3,(H,10,11,12,13)
InChIKeyMWJAYICDMXFMFJ-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.66
Rot. Bonds2

About ethyl N-(4,6-dimethylpyrimidin-2-yl)carbamate

ethyl N-(4,6-dimethylpyrimidin-2-yl)carbamate (PubChem CID 51056605) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is ethyl N-(4,6-dimethylpyrimidin-2-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(4,6-dimethylpyrimidin-2-yl)carbamate
PubChem CID51056605
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Nameethyl N-(4,6-dimethylpyrimidin-2-yl)carbamate
SMILESCCOC(=O)Nc1nc(C)cc(C)n1
InChIInChI=1S/C9H13N3O2/c1-4-14-9(13)12-8-10-6(2)5-7(3)11-8/h5H,4H2,1-3H3,(H,10,11,12,13)
InChIKeyMWJAYICDMXFMFJ-UHFFFAOYSA-N
XLogP1.66
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl N-[2-(ethoxycarbonylamino)pyrimidin-4-yl]carbamate
CID 157074454
ethyl 2-[(4,6-dimethylpyrimidin-2-yl)carbamoyl]-3,3-dimethylbutanoate
CID 116537652
ethyl N-(6-methyl-2-pyridinyl)carbamate
CID 5197559
ethyl N-[3-(ethoxycarbonylamino)phenyl]carbamate
CID 897252
ethyl N-(2-tert-butyl-5-methylpyrazol-3-yl)carbamate
CID 110470603
ethyl N-(5-methoxypyrimidin-2-yl)carbamate
CID 4159152
ethyl N-(3,6-dimethyl-2-pyridinyl)carbamate
CID 12887749
2-amino-N-(4,6-dimethylpyrimidin-2-yl)hexanamide
CID 113224306
2-amino-N-(4,6-dimethylpyrimidin-2-yl)-6-ethoxybenzamide
CID 81394291
N-(4,6-dimethylpyrimidin-2-yl)-3-methylbutanamide
CID 924685
ethyl 2-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoyl]-3-(methylamino)but-2-enoate
CID 70417290
1-amino-N-(4,6-dimethylpyrimidin-2-yl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide
CID 114827966

Frequently Asked Questions

What is the IUPAC name of ethyl N-(4,6-dimethylpyrimidin-2-yl)carbamate?
The IUPAC name of ethyl N-(4,6-dimethylpyrimidin-2-yl)carbamate (CID 51056605) is ethyl N-(4,6-dimethylpyrimidin-2-yl)carbamate.
What is the SMILES notation for ethyl N-(4,6-dimethylpyrimidin-2-yl)carbamate?
The canonical SMILES for ethyl N-(4,6-dimethylpyrimidin-2-yl)carbamate is CCOC(=O)Nc1nc(C)cc(C)n1.
What is the InChIKey of ethyl N-(4,6-dimethylpyrimidin-2-yl)carbamate?
The InChIKey is MWJAYICDMXFMFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-4-14-9(13)12-8-10-6(2)5-7(3)11-8/h5H,4H2,1-3H3,(H,10,11,12,13).
What are the key properties of ethyl N-(4,6-dimethylpyrimidin-2-yl)carbamate?
ethyl N-(4,6-dimethylpyrimidin-2-yl)carbamate has a molecular weight of 195.22 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(4,6-dimethylpyrimidin-2-yl)carbamate is sourced from PubChem (CID 51056605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).