N-(methoxymethyl)-2-(trifluoromethyl)pyrimidine-4-carboxamide

C8H8F3N3O2 — CID 69235676

IUPACN-(methoxymethyl)-2-(trifluoromethyl)pyrimidine-4-carboxamide
SMILESCOCNC(=O)c1ccnc(C(F)(F)F)n1
InChIInChI=1S/C8H8F3N3O2/c1-16-4-13-6(15)5-2-3-12-7(14-5)8(9,10)11/h2-3H,4H2,1H3,(H,13,15)
InChIKeyKGRMBDJIFDEOSI-UHFFFAOYSA-N
MW235.16 g/mol
LogP0.83
Rot. Bonds3

About N-(methoxymethyl)-2-(trifluoromethyl)pyrimidine-4-carboxamide

N-(methoxymethyl)-2-(trifluoromethyl)pyrimidine-4-carboxamide (PubChem CID 69235676) has the molecular formula C8H8F3N3O2 and a molecular weight of 235.16 g/mol. Its IUPAC name is N-(methoxymethyl)-2-(trifluoromethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(methoxymethyl)-2-(trifluoromethyl)pyrimidine-4-carboxamide
PubChem CID69235676
Molecular FormulaC8H8F3N3O2
Molecular Weight235.16 g/mol
Exact Mass235.06
IUPAC NameN-(methoxymethyl)-2-(trifluoromethyl)pyrimidine-4-carboxamide
SMILESCOCNC(=O)c1ccnc(C(F)(F)F)n1
InChIInChI=1S/C8H8F3N3O2/c1-16-4-13-6(15)5-2-3-12-7(14-5)8(9,10)11/h2-3H,4H2,1H3,(H,13,15)
InChIKeyKGRMBDJIFDEOSI-UHFFFAOYSA-N
XLogP0.83
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.16
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(methoxymethyl)-2-(trifluoromethyl)pyrimidine-4-carboxamide?
The IUPAC name of N-(methoxymethyl)-2-(trifluoromethyl)pyrimidine-4-carboxamide (CID 69235676) is N-(methoxymethyl)-2-(trifluoromethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(methoxymethyl)-2-(trifluoromethyl)pyrimidine-4-carboxamide?
The canonical SMILES for N-(methoxymethyl)-2-(trifluoromethyl)pyrimidine-4-carboxamide is COCNC(=O)c1ccnc(C(F)(F)F)n1.
What is the InChIKey of N-(methoxymethyl)-2-(trifluoromethyl)pyrimidine-4-carboxamide?
The InChIKey is KGRMBDJIFDEOSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N3O2/c1-16-4-13-6(15)5-2-3-12-7(14-5)8(9,10)11/h2-3H,4H2,1H3,(H,13,15).
What are the key properties of N-(methoxymethyl)-2-(trifluoromethyl)pyrimidine-4-carboxamide?
N-(methoxymethyl)-2-(trifluoromethyl)pyrimidine-4-carboxamide has a molecular weight of 235.16 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methoxymethyl)-2-(trifluoromethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 69235676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).