6-(fluoromethyl)-N-methoxy-N-methylpyrimidine-4-carboxamide

C8H10FN3O2 — CID 121393950

IUPAC6-(fluoromethyl)-N-methoxy-N-methylpyrimidine-4-carboxamide
SMILESCON(C)C(=O)c1cc(CF)ncn1
InChIInChI=1S/C8H10FN3O2/c1-12(14-2)8(13)7-3-6(4-9)10-5-11-7/h3,5H,4H2,1-2H3
InChIKeyVKDIUKVLPKSMCF-UHFFFAOYSA-N
MW199.18 g/mol
LogP0.58
Rot. Bonds3

About 6-(fluoromethyl)-N-methoxy-N-methylpyrimidine-4-carboxamide

6-(fluoromethyl)-N-methoxy-N-methylpyrimidine-4-carboxamide (PubChem CID 121393950) has the molecular formula C8H10FN3O2 and a molecular weight of 199.18 g/mol. Its IUPAC name is 6-(fluoromethyl)-N-methoxy-N-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(fluoromethyl)-N-methoxy-N-methylpyrimidine-4-carboxamide
PubChem CID121393950
Molecular FormulaC8H10FN3O2
Molecular Weight199.18 g/mol
Exact Mass199.08
IUPAC Name6-(fluoromethyl)-N-methoxy-N-methylpyrimidine-4-carboxamide
SMILESCON(C)C(=O)c1cc(CF)ncn1
InChIInChI=1S/C8H10FN3O2/c1-12(14-2)8(13)7-3-6(4-9)10-5-11-7/h3,5H,4H2,1-2H3
InChIKeyVKDIUKVLPKSMCF-UHFFFAOYSA-N
XLogP0.58
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.18
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 6-(fluoromethyl)-N-methoxy-N-methylpyrimidine-4-carboxamide?
The IUPAC name of 6-(fluoromethyl)-N-methoxy-N-methylpyrimidine-4-carboxamide (CID 121393950) is 6-(fluoromethyl)-N-methoxy-N-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(fluoromethyl)-N-methoxy-N-methylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(fluoromethyl)-N-methoxy-N-methylpyrimidine-4-carboxamide is CON(C)C(=O)c1cc(CF)ncn1.
What is the InChIKey of 6-(fluoromethyl)-N-methoxy-N-methylpyrimidine-4-carboxamide?
The InChIKey is VKDIUKVLPKSMCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FN3O2/c1-12(14-2)8(13)7-3-6(4-9)10-5-11-7/h3,5H,4H2,1-2H3.
What are the key properties of 6-(fluoromethyl)-N-methoxy-N-methylpyrimidine-4-carboxamide?
6-(fluoromethyl)-N-methoxy-N-methylpyrimidine-4-carboxamide has a molecular weight of 199.18 g/mol, XLogP of 0.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(fluoromethyl)-N-methoxy-N-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 121393950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).