methyl N-[4-(fluoromethyl)-6-methoxypyrimidin-2-yl]carbamate

C8H10FN3O3 — CID 14774754

IUPACmethyl N-[4-(fluoromethyl)-6-methoxypyrimidin-2-yl]carbamate
SMILESCOC(=O)Nc1nc(CF)cc(OC)n1
InChIInChI=1S/C8H10FN3O3/c1-14-6-3-5(4-9)10-7(11-6)12-8(13)15-2/h3H,4H2,1-2H3,(H,10,11,12,13)
InChIKeyDZSVNIOAJUTVNK-UHFFFAOYSA-N
MW215.18 g/mol
LogP1.13
Rot. Bonds3

About methyl N-[4-(fluoromethyl)-6-methoxypyrimidin-2-yl]carbamate

methyl N-[4-(fluoromethyl)-6-methoxypyrimidin-2-yl]carbamate (PubChem CID 14774754) has the molecular formula C8H10FN3O3 and a molecular weight of 215.18 g/mol. Its IUPAC name is methyl N-[4-(fluoromethyl)-6-methoxypyrimidin-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-(fluoromethyl)-6-methoxypyrimidin-2-yl]carbamate
PubChem CID14774754
Molecular FormulaC8H10FN3O3
Molecular Weight215.18 g/mol
Exact Mass215.07
IUPAC Namemethyl N-[4-(fluoromethyl)-6-methoxypyrimidin-2-yl]carbamate
SMILESCOC(=O)Nc1nc(CF)cc(OC)n1
InChIInChI=1S/C8H10FN3O3/c1-14-6-3-5(4-9)10-7(11-6)12-8(13)15-2/h3H,4H2,1-2H3,(H,10,11,12,13)
InChIKeyDZSVNIOAJUTVNK-UHFFFAOYSA-N
XLogP1.13
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.18
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-Methyl-2-propyl-4-pyrimidinyl N,N-dimethylcarbamate
CID 17325
4-(2-Methoxyethoxy)-6-methylpyrimidin-2-amine
CID 3777900
2-Hydrazinyl-4-methoxy-6-methylpyrimidine
CID 870741
2,4-Dimethoxy-6-methylpyrimidine
CID 269820
4-(2,2-Dimethylpropoxy)-6-methylpyrimidin-2-amine
CID 57063267
4-Methoxy-6-methylpyrimidin-2-amine
CID 587236
4-Methyl-6-(2,2,3,3,4,4,5,5-octafluoropentoxy)pyrimidin-2-amine
CID 2246718
2-[(4-Methoxy-6-methylpyrimidin-2-yl)thio]acetamide
CID 3239009
N-(4-methoxy-6-methylpyrimidin-2-yl)-N-methylacetamide
CID 911086
4-Methoxy-6-methylpyrimidine
CID 11959085
2,4-Diethoxy-6-methylpyrimidine
CID 260112
2-Chloro-4-methoxy-6-methylpyrimidine
CID 12490571

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-(fluoromethyl)-6-methoxypyrimidin-2-yl]carbamate?
The IUPAC name of methyl N-[4-(fluoromethyl)-6-methoxypyrimidin-2-yl]carbamate (CID 14774754) is methyl N-[4-(fluoromethyl)-6-methoxypyrimidin-2-yl]carbamate.
What is the SMILES notation for methyl N-[4-(fluoromethyl)-6-methoxypyrimidin-2-yl]carbamate?
The canonical SMILES for methyl N-[4-(fluoromethyl)-6-methoxypyrimidin-2-yl]carbamate is COC(=O)Nc1nc(CF)cc(OC)n1.
What is the InChIKey of methyl N-[4-(fluoromethyl)-6-methoxypyrimidin-2-yl]carbamate?
The InChIKey is DZSVNIOAJUTVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FN3O3/c1-14-6-3-5(4-9)10-7(11-6)12-8(13)15-2/h3H,4H2,1-2H3,(H,10,11,12,13).
What are the key properties of methyl N-[4-(fluoromethyl)-6-methoxypyrimidin-2-yl]carbamate?
methyl N-[4-(fluoromethyl)-6-methoxypyrimidin-2-yl]carbamate has a molecular weight of 215.18 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-(fluoromethyl)-6-methoxypyrimidin-2-yl]carbamate is sourced from PubChem (CID 14774754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).