6-(3,3-difluorocyclobutyl)oxy-N-methoxy-N-methylpyrimidine-4-carboxamide

C11H13F2N3O3 — CID 172563176

IUPAC6-(3,3-difluorocyclobutyl)oxy-N-methoxy-N-methylpyrimidine-4-carboxamide
SMILESCON(C)C(=O)c1cc(OC2CC(F)(F)C2)ncn1
InChIInChI=1S/C11H13F2N3O3/c1-16(18-2)10(17)8-3-9(15-6-14-8)19-7-4-11(12,13)5-7/h3,6-7H,4-5H2,1-2H3
InChIKeyYNEVPZBAYHMLBE-UHFFFAOYSA-N
MW273.24 g/mol
LogP1.29
Rot. Bonds4

About 6-(3,3-difluorocyclobutyl)oxy-N-methoxy-N-methylpyrimidine-4-carboxamide

6-(3,3-difluorocyclobutyl)oxy-N-methoxy-N-methylpyrimidine-4-carboxamide (PubChem CID 172563176) has the molecular formula C11H13F2N3O3 and a molecular weight of 273.24 g/mol. Its IUPAC name is 6-(3,3-difluorocyclobutyl)oxy-N-methoxy-N-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(3,3-difluorocyclobutyl)oxy-N-methoxy-N-methylpyrimidine-4-carboxamide
PubChem CID172563176
Molecular FormulaC11H13F2N3O3
Molecular Weight273.24 g/mol
Exact Mass273.09
IUPAC Name6-(3,3-difluorocyclobutyl)oxy-N-methoxy-N-methylpyrimidine-4-carboxamide
SMILESCON(C)C(=O)c1cc(OC2CC(F)(F)C2)ncn1
InChIInChI=1S/C11H13F2N3O3/c1-16(18-2)10(17)8-3-9(15-6-14-8)19-7-4-11(12,13)5-7/h3,6-7H,4-5H2,1-2H3
InChIKeyYNEVPZBAYHMLBE-UHFFFAOYSA-N
XLogP1.29
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.24
LogP ≤ 51.29
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 6-(3,3-difluorocyclobutyl)oxy-N-methoxy-N-methylpyrimidine-4-carboxamide?
The IUPAC name of 6-(3,3-difluorocyclobutyl)oxy-N-methoxy-N-methylpyrimidine-4-carboxamide (CID 172563176) is 6-(3,3-difluorocyclobutyl)oxy-N-methoxy-N-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(3,3-difluorocyclobutyl)oxy-N-methoxy-N-methylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(3,3-difluorocyclobutyl)oxy-N-methoxy-N-methylpyrimidine-4-carboxamide is CON(C)C(=O)c1cc(OC2CC(F)(F)C2)ncn1.
What is the InChIKey of 6-(3,3-difluorocyclobutyl)oxy-N-methoxy-N-methylpyrimidine-4-carboxamide?
The InChIKey is YNEVPZBAYHMLBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N3O3/c1-16(18-2)10(17)8-3-9(15-6-14-8)19-7-4-11(12,13)5-7/h3,6-7H,4-5H2,1-2H3.
What are the key properties of 6-(3,3-difluorocyclobutyl)oxy-N-methoxy-N-methylpyrimidine-4-carboxamide?
6-(3,3-difluorocyclobutyl)oxy-N-methoxy-N-methylpyrimidine-4-carboxamide has a molecular weight of 273.24 g/mol, XLogP of 1.29, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,3-difluorocyclobutyl)oxy-N-methoxy-N-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 172563176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).