N,N-dimethyl-2-[4-methyl-6-oxo-2-(trifluoromethyl)-1H-pyrimidin-5-yl]acetamide

C10H12F3N3O2 — CID 136743772

IUPACN,N-dimethyl-2-[4-methyl-6-oxo-2-(trifluoromethyl)-1H-pyrimidin-5-yl]acetamide
SMILESCc1nc(C(F)(F)F)[nH]c(=O)c1CC(=O)N(C)C
InChIInChI=1S/C10H12F3N3O2/c1-5-6(4-7(17)16(2)3)8(18)15-9(14-5)10(11,12)13/h4H2,1-3H3,(H,14,15,18)
InChIKeyAYCWDLRQIZYDFS-UHFFFAOYSA-N
MW263.22 g/mol
LogP0.73
Rot. Bonds2

About N,N-dimethyl-2-[4-methyl-6-oxo-2-(trifluoromethyl)-1H-pyrimidin-5-yl]acetamide

N,N-dimethyl-2-[4-methyl-6-oxo-2-(trifluoromethyl)-1H-pyrimidin-5-yl]acetamide (PubChem CID 136743772) has the molecular formula C10H12F3N3O2 and a molecular weight of 263.22 g/mol. Its IUPAC name is N,N-dimethyl-2-[4-methyl-6-oxo-2-(trifluoromethyl)-1H-pyrimidin-5-yl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[4-methyl-6-oxo-2-(trifluoromethyl)-1H-pyrimidin-5-yl]acetamide
PubChem CID136743772
Molecular FormulaC10H12F3N3O2
Molecular Weight263.22 g/mol
Exact Mass263.09
IUPAC NameN,N-dimethyl-2-[4-methyl-6-oxo-2-(trifluoromethyl)-1H-pyrimidin-5-yl]acetamide
SMILESCc1nc(C(F)(F)F)[nH]c(=O)c1CC(=O)N(C)C
InChIInChI=1S/C10H12F3N3O2/c1-5-6(4-7(17)16(2)3)8(18)15-9(14-5)10(11,12)13/h4H2,1-3H3,(H,14,15,18)
InChIKeyAYCWDLRQIZYDFS-UHFFFAOYSA-N
XLogP0.73
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.22
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[4-methyl-6-oxo-2-(trifluoromethyl)-1H-pyrimidin-5-yl]acetamide?
The IUPAC name of N,N-dimethyl-2-[4-methyl-6-oxo-2-(trifluoromethyl)-1H-pyrimidin-5-yl]acetamide (CID 136743772) is N,N-dimethyl-2-[4-methyl-6-oxo-2-(trifluoromethyl)-1H-pyrimidin-5-yl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[4-methyl-6-oxo-2-(trifluoromethyl)-1H-pyrimidin-5-yl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[4-methyl-6-oxo-2-(trifluoromethyl)-1H-pyrimidin-5-yl]acetamide is Cc1nc(C(F)(F)F)[nH]c(=O)c1CC(=O)N(C)C.
What is the InChIKey of N,N-dimethyl-2-[4-methyl-6-oxo-2-(trifluoromethyl)-1H-pyrimidin-5-yl]acetamide?
The InChIKey is AYCWDLRQIZYDFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O2/c1-5-6(4-7(17)16(2)3)8(18)15-9(14-5)10(11,12)13/h4H2,1-3H3,(H,14,15,18).
What are the key properties of N,N-dimethyl-2-[4-methyl-6-oxo-2-(trifluoromethyl)-1H-pyrimidin-5-yl]acetamide?
N,N-dimethyl-2-[4-methyl-6-oxo-2-(trifluoromethyl)-1H-pyrimidin-5-yl]acetamide has a molecular weight of 263.22 g/mol, XLogP of 0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[4-methyl-6-oxo-2-(trifluoromethyl)-1H-pyrimidin-5-yl]acetamide is sourced from PubChem (CID 136743772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).