6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2,3-dihydro-1H-pyrimidin-4-one

C13H9F6N5OS — CID 162587925

IUPAC6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2,3-dihydro-1H-pyrimidin-4-one
SMILESCn1cc(C2=CC(=O)NC(c3nc(C(F)(F)F)cs3)N2)c(C(F)(F)F)n1
InChIInChI=1S/C13H9F6N5OS/c1-24-3-5(9(23-24)13(17,18)19)6-2-8(25)22-10(20-6)11-21-7(4-26-11)12(14,15)16/h2-4,10,20H,1H3,(H,22,25)
InChIKeyLCIVJGTXSYMSBB-UHFFFAOYSA-N
MW397.30 g/mol
LogP2.67
Rot. Bonds2

About 6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2,3-dihydro-1H-pyrimidin-4-one

6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2,3-dihydro-1H-pyrimidin-4-one (PubChem CID 162587925) has the molecular formula C13H9F6N5OS and a molecular weight of 397.30 g/mol. Its IUPAC name is 6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2,3-dihydro-1H-pyrimidin-4-one.

Molecular Properties

Compound Name6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2,3-dihydro-1H-pyrimidin-4-one
PubChem CID162587925
Molecular FormulaC13H9F6N5OS
Molecular Weight397.30 g/mol
Exact Mass397.04
IUPAC Name6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2,3-dihydro-1H-pyrimidin-4-one
SMILESCn1cc(C2=CC(=O)NC(c3nc(C(F)(F)F)cs3)N2)c(C(F)(F)F)n1
InChIInChI=1S/C13H9F6N5OS/c1-24-3-5(9(23-24)13(17,18)19)6-2-8(25)22-10(20-6)11-21-7(4-26-11)12(14,15)16/h2-4,10,20H,1H3,(H,22,25)
InChIKeyLCIVJGTXSYMSBB-UHFFFAOYSA-N
XLogP2.67
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.30
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2,3-dihydro-1H-pyrimidin-4-one?
The IUPAC name of 6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2,3-dihydro-1H-pyrimidin-4-one (CID 162587925) is 6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2,3-dihydro-1H-pyrimidin-4-one.
What is the SMILES notation for 6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2,3-dihydro-1H-pyrimidin-4-one?
The canonical SMILES for 6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2,3-dihydro-1H-pyrimidin-4-one is Cn1cc(C2=CC(=O)NC(c3nc(C(F)(F)F)cs3)N2)c(C(F)(F)F)n1.
What is the InChIKey of 6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2,3-dihydro-1H-pyrimidin-4-one?
The InChIKey is LCIVJGTXSYMSBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F6N5OS/c1-24-3-5(9(23-24)13(17,18)19)6-2-8(25)22-10(20-6)11-21-7(4-26-11)12(14,15)16/h2-4,10,20H,1H3,(H,22,25).
What are the key properties of 6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2,3-dihydro-1H-pyrimidin-4-one?
6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2,3-dihydro-1H-pyrimidin-4-one has a molecular weight of 397.30 g/mol, XLogP of 2.67, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2,3-dihydro-1H-pyrimidin-4-one is sourced from PubChem (CID 162587925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).