N-[1-(dimethylamino)propan-2-yl]-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidine-5-carboxamide

C13H15F3N6O2 — CID 71577199

IUPACN-[1-(dimethylamino)propan-2-yl]-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidine-5-carboxamide
SMILESCC(CN(C)C)NC(=O)c1cnc(-c2noc(C(F)(F)F)n2)nc1
InChIInChI=1S/C13H15F3N6O2/c1-7(6-22(2)3)19-11(23)8-4-17-9(18-5-8)10-20-12(24-21-10)13(14,15)16/h4-5,7H,6H2,1-3H3,(H,19,23)
InChIKeyUWPHPCRYHBUMHZ-UHFFFAOYSA-N
MW344.30 g/mol
LogP1.23
Rot. Bonds5

About N-[1-(dimethylamino)propan-2-yl]-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidine-5-carboxamide

N-[1-(dimethylamino)propan-2-yl]-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidine-5-carboxamide (PubChem CID 71577199) has the molecular formula C13H15F3N6O2 and a molecular weight of 344.30 g/mol. Its IUPAC name is N-[1-(dimethylamino)propan-2-yl]-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[1-(dimethylamino)propan-2-yl]-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidine-5-carboxamide
PubChem CID71577199
Molecular FormulaC13H15F3N6O2
Molecular Weight344.30 g/mol
Exact Mass344.12
IUPAC NameN-[1-(dimethylamino)propan-2-yl]-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidine-5-carboxamide
SMILESCC(CN(C)C)NC(=O)c1cnc(-c2noc(C(F)(F)F)n2)nc1
InChIInChI=1S/C13H15F3N6O2/c1-7(6-22(2)3)19-11(23)8-4-17-9(18-5-8)10-20-12(24-21-10)13(14,15)16/h4-5,7H,6H2,1-3H3,(H,19,23)
InChIKeyUWPHPCRYHBUMHZ-UHFFFAOYSA-N
XLogP1.23
TPSA97.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.30
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-(dimethylamino)propan-2-yl]-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidine-5-carboxamide?
The IUPAC name of N-[1-(dimethylamino)propan-2-yl]-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidine-5-carboxamide (CID 71577199) is N-[1-(dimethylamino)propan-2-yl]-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[1-(dimethylamino)propan-2-yl]-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidine-5-carboxamide?
The canonical SMILES for N-[1-(dimethylamino)propan-2-yl]-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidine-5-carboxamide is CC(CN(C)C)NC(=O)c1cnc(-c2noc(C(F)(F)F)n2)nc1.
What is the InChIKey of N-[1-(dimethylamino)propan-2-yl]-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidine-5-carboxamide?
The InChIKey is UWPHPCRYHBUMHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N6O2/c1-7(6-22(2)3)19-11(23)8-4-17-9(18-5-8)10-20-12(24-21-10)13(14,15)16/h4-5,7H,6H2,1-3H3,(H,19,23).
What are the key properties of N-[1-(dimethylamino)propan-2-yl]-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidine-5-carboxamide?
N-[1-(dimethylamino)propan-2-yl]-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidine-5-carboxamide has a molecular weight of 344.30 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dimethylamino)propan-2-yl]-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 71577199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).