7-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-8-one

C9H9F3N2OS — CID 59284109

IUPAC7-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-8-one
SMILESCc1c(C(F)(F)F)n2c(nc1=O)SCCC2
InChIInChI=1S/C9H9F3N2OS/c1-5-6(9(10,11)12)14-3-2-4-16-8(14)13-7(5)15/h2-4H2,1H3
InChIKeyMRNYPZLPOHGUFO-UHFFFAOYSA-N
MW250.24 g/mol
LogP2.07
Rot. Bonds

About 7-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-8-one

7-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-8-one (PubChem CID 59284109) has the molecular formula C9H9F3N2OS and a molecular weight of 250.24 g/mol. Its IUPAC name is 7-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-8-one.

Molecular Properties

Compound Name7-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-8-one
PubChem CID59284109
Molecular FormulaC9H9F3N2OS
Molecular Weight250.24 g/mol
Exact Mass250.04
IUPAC Name7-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-8-one
SMILESCc1c(C(F)(F)F)n2c(nc1=O)SCCC2
InChIInChI=1S/C9H9F3N2OS/c1-5-6(9(10,11)12)14-3-2-4-16-8(14)13-7(5)15/h2-4H2,1H3
InChIKeyMRNYPZLPOHGUFO-UHFFFAOYSA-N
XLogP2.07
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.24
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-8-one?
The IUPAC name of 7-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-8-one (CID 59284109) is 7-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-8-one.
What is the SMILES notation for 7-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-8-one?
The canonical SMILES for 7-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-8-one is Cc1c(C(F)(F)F)n2c(nc1=O)SCCC2.
What is the InChIKey of 7-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-8-one?
The InChIKey is MRNYPZLPOHGUFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2OS/c1-5-6(9(10,11)12)14-3-2-4-16-8(14)13-7(5)15/h2-4H2,1H3.
What are the key properties of 7-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-8-one?
7-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-8-one has a molecular weight of 250.24 g/mol, XLogP of 2.07, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-8-one is sourced from PubChem (CID 59284109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).