N-methoxy-N-methyl-6-(2,2,2-trifluoroethoxy)pyrimidine-4-carboxamide

C9H10F3N3O3 — CID 172563277

IUPACN-methoxy-N-methyl-6-(2,2,2-trifluoroethoxy)pyrimidine-4-carboxamide
SMILESCON(C)C(=O)c1cc(OCC(F)(F)F)ncn1
InChIInChI=1S/C9H10F3N3O3/c1-15(17-2)8(16)6-3-7(14-5-13-6)18-4-9(10,11)12/h3,5H,4H2,1-2H3
InChIKeyMYOBCCNQPGZHLI-UHFFFAOYSA-N
MW265.19 g/mol
LogP1.05
Rot. Bonds4

About N-methoxy-N-methyl-6-(2,2,2-trifluoroethoxy)pyrimidine-4-carboxamide

N-methoxy-N-methyl-6-(2,2,2-trifluoroethoxy)pyrimidine-4-carboxamide (PubChem CID 172563277) has the molecular formula C9H10F3N3O3 and a molecular weight of 265.19 g/mol. Its IUPAC name is N-methoxy-N-methyl-6-(2,2,2-trifluoroethoxy)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-methoxy-N-methyl-6-(2,2,2-trifluoroethoxy)pyrimidine-4-carboxamide
PubChem CID172563277
Molecular FormulaC9H10F3N3O3
Molecular Weight265.19 g/mol
Exact Mass265.07
IUPAC NameN-methoxy-N-methyl-6-(2,2,2-trifluoroethoxy)pyrimidine-4-carboxamide
SMILESCON(C)C(=O)c1cc(OCC(F)(F)F)ncn1
InChIInChI=1S/C9H10F3N3O3/c1-15(17-2)8(16)6-3-7(14-5-13-6)18-4-9(10,11)12/h3,5H,4H2,1-2H3
InChIKeyMYOBCCNQPGZHLI-UHFFFAOYSA-N
XLogP1.05
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.19
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methoxy-N-methyl-6-(2,2,2-trifluoroethoxy)pyrimidine-4-carboxamide?
The IUPAC name of N-methoxy-N-methyl-6-(2,2,2-trifluoroethoxy)pyrimidine-4-carboxamide (CID 172563277) is N-methoxy-N-methyl-6-(2,2,2-trifluoroethoxy)pyrimidine-4-carboxamide.
What is the SMILES notation for N-methoxy-N-methyl-6-(2,2,2-trifluoroethoxy)pyrimidine-4-carboxamide?
The canonical SMILES for N-methoxy-N-methyl-6-(2,2,2-trifluoroethoxy)pyrimidine-4-carboxamide is CON(C)C(=O)c1cc(OCC(F)(F)F)ncn1.
What is the InChIKey of N-methoxy-N-methyl-6-(2,2,2-trifluoroethoxy)pyrimidine-4-carboxamide?
The InChIKey is MYOBCCNQPGZHLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3O3/c1-15(17-2)8(16)6-3-7(14-5-13-6)18-4-9(10,11)12/h3,5H,4H2,1-2H3.
What are the key properties of N-methoxy-N-methyl-6-(2,2,2-trifluoroethoxy)pyrimidine-4-carboxamide?
N-methoxy-N-methyl-6-(2,2,2-trifluoroethoxy)pyrimidine-4-carboxamide has a molecular weight of 265.19 g/mol, XLogP of 1.05, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N-methyl-6-(2,2,2-trifluoroethoxy)pyrimidine-4-carboxamide is sourced from PubChem (CID 172563277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).