4-methyl-6-methylsulfanyl-2-propan-2-yl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-5-carboxamide

C17H19F3N4O2S — CID 78889139

IUPAC4-methyl-6-methylsulfanyl-2-propan-2-yl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-5-carboxamide
SMILESCSc1nc(C(C)C)nc(C)c1C(=O)Nc1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C17H19F3N4O2S/c1-9(2)14-22-10(3)13(16(24-14)27-4)15(25)23-11-5-6-12(21-7-11)26-8-17(18,19)20/h5-7,9H,8H2,1-4H3,(H,23,25)
InChIKeyITTYJWKVZLMAKP-UHFFFAOYSA-N
MW400.43 g/mol
LogP4.22
Rot. Bonds6

About 4-methyl-6-methylsulfanyl-2-propan-2-yl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-5-carboxamide

4-methyl-6-methylsulfanyl-2-propan-2-yl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-5-carboxamide (PubChem CID 78889139) has the molecular formula C17H19F3N4O2S and a molecular weight of 400.43 g/mol. Its IUPAC name is 4-methyl-6-methylsulfanyl-2-propan-2-yl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-methyl-6-methylsulfanyl-2-propan-2-yl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-5-carboxamide
PubChem CID78889139
Molecular FormulaC17H19F3N4O2S
Molecular Weight400.43 g/mol
Exact Mass400.12
IUPAC Name4-methyl-6-methylsulfanyl-2-propan-2-yl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-5-carboxamide
SMILESCSc1nc(C(C)C)nc(C)c1C(=O)Nc1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C17H19F3N4O2S/c1-9(2)14-22-10(3)13(16(24-14)27-4)15(25)23-11-5-6-12(21-7-11)26-8-17(18,19)20/h5-7,9H,8H2,1-4H3,(H,23,25)
InChIKeyITTYJWKVZLMAKP-UHFFFAOYSA-N
XLogP4.22
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.43
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-methyl-6-methylsulfanyl-2-propan-2-yl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-methylsulfanyl-2-propan-2-yl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-5-carboxamide?
The IUPAC name of 4-methyl-6-methylsulfanyl-2-propan-2-yl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-5-carboxamide (CID 78889139) is 4-methyl-6-methylsulfanyl-2-propan-2-yl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-methyl-6-methylsulfanyl-2-propan-2-yl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-5-carboxamide?
The canonical SMILES for 4-methyl-6-methylsulfanyl-2-propan-2-yl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-5-carboxamide is CSc1nc(C(C)C)nc(C)c1C(=O)Nc1ccc(OCC(F)(F)F)nc1.
What is the InChIKey of 4-methyl-6-methylsulfanyl-2-propan-2-yl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-5-carboxamide?
The InChIKey is ITTYJWKVZLMAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N4O2S/c1-9(2)14-22-10(3)13(16(24-14)27-4)15(25)23-11-5-6-12(21-7-11)26-8-17(18,19)20/h5-7,9H,8H2,1-4H3,(H,23,25).
What are the key properties of 4-methyl-6-methylsulfanyl-2-propan-2-yl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-5-carboxamide?
4-methyl-6-methylsulfanyl-2-propan-2-yl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-5-carboxamide has a molecular weight of 400.43 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-methylsulfanyl-2-propan-2-yl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 78889139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).