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

C9H9F3N2OS — CID 59284245

IUPAC7-methyl-8-(trifluoromethyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
SMILESCc1c(C(F)(F)F)nc2n(c1=O)CCCS2
InChIInChI=1S/C9H9F3N2OS/c1-5-6(9(10,11)12)13-8-14(7(5)15)3-2-4-16-8/h2-4H2,1H3
InChIKeyZHVVLHQXAFXCNH-UHFFFAOYSA-N
MW250.24 g/mol
LogP2.07
Rot. Bonds

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

7-methyl-8-(trifluoromethyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one (PubChem CID 59284245) has the molecular formula C9H9F3N2OS and a molecular weight of 250.24 g/mol. Its IUPAC name is 7-methyl-8-(trifluoromethyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one.

Molecular Properties

Compound Name7-methyl-8-(trifluoromethyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
PubChem CID59284245
Molecular FormulaC9H9F3N2OS
Molecular Weight250.24 g/mol
Exact Mass250.04
IUPAC Name7-methyl-8-(trifluoromethyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
SMILESCc1c(C(F)(F)F)nc2n(c1=O)CCCS2
InChIInChI=1S/C9H9F3N2OS/c1-5-6(9(10,11)12)13-8-14(7(5)15)3-2-4-16-8/h2-4H2,1H3
InChIKeyZHVVLHQXAFXCNH-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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Related Compounds

3-Methyl-4-(trifluoromethyl)-6,7,8,9-tetrahydropyrimido[2,1-b][1,3]thiazepin-2-one
CID 59283973
2,6-Dimethyl-7-(trifluoromethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 59284051
7-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-8-one
CID 59284109
3-Methyl-2-(trifluoromethyl)-6,7,8,9-tetrahydropyrimido[2,1-b][1,3]thiazepin-4-one
CID 59284126
6-Methyl-7-(trifluoromethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 59284150
3,6-Dimethyl-7-(trifluoromethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 59284184
7,8-dimethyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
CID 54231171
2,3,4,7,8-pentamethyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
CID 170364373

Frequently Asked Questions

What is the IUPAC name of 7-methyl-8-(trifluoromethyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
The IUPAC name of 7-methyl-8-(trifluoromethyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one (CID 59284245) is 7-methyl-8-(trifluoromethyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one.
What is the SMILES notation for 7-methyl-8-(trifluoromethyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
The canonical SMILES for 7-methyl-8-(trifluoromethyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one is Cc1c(C(F)(F)F)nc2n(c1=O)CCCS2.
What is the InChIKey of 7-methyl-8-(trifluoromethyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
The InChIKey is ZHVVLHQXAFXCNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2OS/c1-5-6(9(10,11)12)13-8-14(7(5)15)3-2-4-16-8/h2-4H2,1H3.
What are the key properties of 7-methyl-8-(trifluoromethyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
7-methyl-8-(trifluoromethyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-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-8-(trifluoromethyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one is sourced from PubChem (CID 59284245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).