2-ethyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidine-5-carboxamide

C10H12F3N3OS — CID 74241686

IUPAC2-ethyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidine-5-carboxamide
SMILESCCc1ncc(C(=O)NCCSC(F)(F)F)cn1
InChIInChI=1S/C10H12F3N3OS/c1-2-8-15-5-7(6-16-8)9(17)14-3-4-18-10(11,12)13/h5-6H,2-4H2,1H3,(H,14,17)
InChIKeyOODWIWOMLVQHPN-UHFFFAOYSA-N
MW279.29 g/mol
LogP2.02
Rot. Bonds5

About 2-ethyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidine-5-carboxamide

2-ethyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidine-5-carboxamide (PubChem CID 74241686) has the molecular formula C10H12F3N3OS and a molecular weight of 279.29 g/mol. Its IUPAC name is 2-ethyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidine-5-carboxamide
PubChem CID74241686
Molecular FormulaC10H12F3N3OS
Molecular Weight279.29 g/mol
Exact Mass279.07
IUPAC Name2-ethyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidine-5-carboxamide
SMILESCCc1ncc(C(=O)NCCSC(F)(F)F)cn1
InChIInChI=1S/C10H12F3N3OS/c1-2-8-15-5-7(6-16-8)9(17)14-3-4-18-10(11,12)13/h5-6H,2-4H2,1H3,(H,14,17)
InChIKeyOODWIWOMLVQHPN-UHFFFAOYSA-N
XLogP2.02
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(Trifluoromethyl)pyrimidine-5-carboxamide
CID 68423044
2-ethyl-N-{2-[methyl(methylsulfonyl)amino]ethyl}-5-pyrimidinecarboxamide
CID 72918635
2-(ethylamino)-N-(tetrahydro-3-thienyl)-5-pyrimidinecarboxamide
CID 72932963
7-(Ethylthio)pyrimido[4,5-d]pyrimidin-4(3H)-one
CID 135424359
2-ethyl-N-[2-(isobutylsulfonyl)ethyl]-5-pyrimidinecarboxamide
CID 72879630
N-ethyl-5-(4-thiomorpholinylcarbonyl)-2-pyrimidinamine
CID 72939360
2-isopropyl-N-{2-[methyl(methylsulfonyl)amino]ethyl}pyrimidine-5-carboxamide
CID 74232485
N-(1,1-dioxido-2,3-dihydro-3-thienyl)-2-isopropylpyrimidine-5-carboxamide
CID 74233606
N-(Tert-butyl)-2-chloro-4-((2,2,2-trifluoroethyl)amino)pyrimidine-5-carboxamide
CID 22390669
2-methyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrimidine-5-carboxamide
CID 57833070
2-pyrimidin-5-yl-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-thiazole-5-carboxamide
CID 68633671
2-(2,2,2-Trifluoroethyl)pyrimidine-5-carboxamide
CID 69129378

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-ethyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidine-5-carboxamide (CID 74241686) is 2-ethyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-ethyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-ethyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidine-5-carboxamide is CCc1ncc(C(=O)NCCSC(F)(F)F)cn1.
What is the InChIKey of 2-ethyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidine-5-carboxamide?
The InChIKey is OODWIWOMLVQHPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3OS/c1-2-8-15-5-7(6-16-8)9(17)14-3-4-18-10(11,12)13/h5-6H,2-4H2,1H3,(H,14,17).
What are the key properties of 2-ethyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidine-5-carboxamide?
2-ethyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidine-5-carboxamide has a molecular weight of 279.29 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 74241686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).