6-(difluoromethyl)-6-fluoro-5-pyrimidin-4-ylcyclohexa-2,4-diene-1-carboxamide

C12H10F3N3O — CID 154928206

IUPAC6-(difluoromethyl)-6-fluoro-5-pyrimidin-4-ylcyclohexa-2,4-diene-1-carboxamide
SMILESNC(=O)C1C=CC=C(c2ccncn2)C1(F)C(F)F
InChIInChI=1S/C12H10F3N3O/c13-11(14)12(15)7(9-4-5-17-6-18-9)2-1-3-8(12)10(16)19/h1-6,8,11H,(H2,16,19)
InChIKeyQOSYASLETKNFEQ-UHFFFAOYSA-N
MW269.23 g/mol
LogP1.50
Rot. Bonds3

About 6-(difluoromethyl)-6-fluoro-5-pyrimidin-4-ylcyclohexa-2,4-diene-1-carboxamide

6-(difluoromethyl)-6-fluoro-5-pyrimidin-4-ylcyclohexa-2,4-diene-1-carboxamide (PubChem CID 154928206) has the molecular formula C12H10F3N3O and a molecular weight of 269.23 g/mol. Its IUPAC name is 6-(difluoromethyl)-6-fluoro-5-pyrimidin-4-ylcyclohexa-2,4-diene-1-carboxamide.

Molecular Properties

Compound Name6-(difluoromethyl)-6-fluoro-5-pyrimidin-4-ylcyclohexa-2,4-diene-1-carboxamide
PubChem CID154928206
Molecular FormulaC12H10F3N3O
Molecular Weight269.23 g/mol
Exact Mass269.08
IUPAC Name6-(difluoromethyl)-6-fluoro-5-pyrimidin-4-ylcyclohexa-2,4-diene-1-carboxamide
SMILESNC(=O)C1C=CC=C(c2ccncn2)C1(F)C(F)F
InChIInChI=1S/C12H10F3N3O/c13-11(14)12(15)7(9-4-5-17-6-18-9)2-1-3-8(12)10(16)19/h1-6,8,11H,(H2,16,19)
InChIKeyQOSYASLETKNFEQ-UHFFFAOYSA-N
XLogP1.50
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.23
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-6-fluoro-5-pyrimidin-4-ylcyclohexa-2,4-diene-1-carboxamide?
The IUPAC name of 6-(difluoromethyl)-6-fluoro-5-pyrimidin-4-ylcyclohexa-2,4-diene-1-carboxamide (CID 154928206) is 6-(difluoromethyl)-6-fluoro-5-pyrimidin-4-ylcyclohexa-2,4-diene-1-carboxamide.
What is the SMILES notation for 6-(difluoromethyl)-6-fluoro-5-pyrimidin-4-ylcyclohexa-2,4-diene-1-carboxamide?
The canonical SMILES for 6-(difluoromethyl)-6-fluoro-5-pyrimidin-4-ylcyclohexa-2,4-diene-1-carboxamide is NC(=O)C1C=CC=C(c2ccncn2)C1(F)C(F)F.
What is the InChIKey of 6-(difluoromethyl)-6-fluoro-5-pyrimidin-4-ylcyclohexa-2,4-diene-1-carboxamide?
The InChIKey is QOSYASLETKNFEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O/c13-11(14)12(15)7(9-4-5-17-6-18-9)2-1-3-8(12)10(16)19/h1-6,8,11H,(H2,16,19).
What are the key properties of 6-(difluoromethyl)-6-fluoro-5-pyrimidin-4-ylcyclohexa-2,4-diene-1-carboxamide?
6-(difluoromethyl)-6-fluoro-5-pyrimidin-4-ylcyclohexa-2,4-diene-1-carboxamide has a molecular weight of 269.23 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-6-fluoro-5-pyrimidin-4-ylcyclohexa-2,4-diene-1-carboxamide is sourced from PubChem (CID 154928206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).