2-(diethylamino)-N-(furan-2-ylmethyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide

C15H17F3N4O2 — CID 10132145

IUPAC2-(diethylamino)-N-(furan-2-ylmethyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide
SMILESCCN(CC)c1ncc(C(=O)NCc2ccco2)c(C(F)(F)F)n1
InChIInChI=1S/C15H17F3N4O2/c1-3-22(4-2)14-20-9-11(12(21-14)15(16,17)18)13(23)19-8-10-6-5-7-24-10/h5-7,9H,3-4,8H2,1-2H3,(H,19,23)
InChIKeyJEUVERBOVNPRGJ-UHFFFAOYSA-N
MW342.32 g/mol
LogP2.86
Rot. Bonds6

About 2-(diethylamino)-N-(furan-2-ylmethyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide

2-(diethylamino)-N-(furan-2-ylmethyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide (PubChem CID 10132145) has the molecular formula C15H17F3N4O2 and a molecular weight of 342.32 g/mol. Its IUPAC name is 2-(diethylamino)-N-(furan-2-ylmethyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(diethylamino)-N-(furan-2-ylmethyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide
PubChem CID10132145
Molecular FormulaC15H17F3N4O2
Molecular Weight342.32 g/mol
Exact Mass342.13
IUPAC Name2-(diethylamino)-N-(furan-2-ylmethyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide
SMILESCCN(CC)c1ncc(C(=O)NCc2ccco2)c(C(F)(F)F)n1
InChIInChI=1S/C15H17F3N4O2/c1-3-22(4-2)14-20-9-11(12(21-14)15(16,17)18)13(23)19-8-10-6-5-7-24-10/h5-7,9H,3-4,8H2,1-2H3,(H,19,23)
InChIKeyJEUVERBOVNPRGJ-UHFFFAOYSA-N
XLogP2.86
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.32
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-N-(furan-2-ylmethyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(diethylamino)-N-(furan-2-ylmethyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide (CID 10132145) is 2-(diethylamino)-N-(furan-2-ylmethyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(diethylamino)-N-(furan-2-ylmethyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(diethylamino)-N-(furan-2-ylmethyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide is CCN(CC)c1ncc(C(=O)NCc2ccco2)c(C(F)(F)F)n1.
What is the InChIKey of 2-(diethylamino)-N-(furan-2-ylmethyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide?
The InChIKey is JEUVERBOVNPRGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N4O2/c1-3-22(4-2)14-20-9-11(12(21-14)15(16,17)18)13(23)19-8-10-6-5-7-24-10/h5-7,9H,3-4,8H2,1-2H3,(H,19,23).
What are the key properties of 2-(diethylamino)-N-(furan-2-ylmethyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide?
2-(diethylamino)-N-(furan-2-ylmethyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide has a molecular weight of 342.32 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-N-(furan-2-ylmethyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 10132145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).