2-[methyl-(1-methylpiperidin-4-yl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one

C12H17F3N4O — CID 136741429

IUPAC2-[methyl-(1-methylpiperidin-4-yl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESCN1CCC(N(C)c2nc(C(F)(F)F)cc(=O)[nH]2)CC1
InChIInChI=1S/C12H17F3N4O/c1-18-5-3-8(4-6-18)19(2)11-16-9(12(13,14)15)7-10(20)17-11/h7-8H,3-6H2,1-2H3,(H,16,17,20)
InChIKeyTUGQXGVRYLTQOV-UHFFFAOYSA-N
MW290.29 g/mol
LogP1.32
Rot. Bonds2

About 2-[methyl-(1-methylpiperidin-4-yl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one

2-[methyl-(1-methylpiperidin-4-yl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one (PubChem CID 136741429) has the molecular formula C12H17F3N4O and a molecular weight of 290.29 g/mol. Its IUPAC name is 2-[methyl-(1-methylpiperidin-4-yl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[methyl-(1-methylpiperidin-4-yl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one
PubChem CID136741429
Molecular FormulaC12H17F3N4O
Molecular Weight290.29 g/mol
Exact Mass290.14
IUPAC Name2-[methyl-(1-methylpiperidin-4-yl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESCN1CCC(N(C)c2nc(C(F)(F)F)cc(=O)[nH]2)CC1
InChIInChI=1S/C12H17F3N4O/c1-18-5-3-8(4-6-18)19(2)11-16-9(12(13,14)15)7-10(20)17-11/h7-8H,3-6H2,1-2H3,(H,16,17,20)
InChIKeyTUGQXGVRYLTQOV-UHFFFAOYSA-N
XLogP1.32
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-Methyl-2-(piperidin-1-yl)pyrimidin-4-ol
CID 135406154
2-(trifluoromethyl)-6,7,8,9-tetrahydro-4H-pyrimido[1,2-a]pyrimidin-4-one
CID 136325827
2-(4-aminopiperidin-1-yl)-6-methylpyrimidin-4(3H)-one dihydrochloride
CID 137017015
2-(3-Aminopiperidin-1-yl)-6-methyl-3,4-dihydropyrimidin-4-one dihydrochloride
CID 137154967
2-[Methyl(piperidin-4-yl)amino]pyrimidin-4-ol
CID 14601273
2-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)pyrimidin-4(3H)-one
CID 135644916
2-Piperazin-1-yl-6-trifluoromethyl-3H-pyrimidin-4-one
CID 136103243
4-(difluoromethyl)-2-(3-ethylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 137160189
2-Pentyl-8-(trifluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one
CID 141392450
2-Methyl-8-(trifluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one
CID 141392451
3-Methyl-2-piperazin-1-yl-6-trifluoromethyl-3H-pyrimidin-4-one
CID 97619979
2-(4-Aminopiperidin-1-yl)-3-methyl-6-(trifluoromethyl)pyrimidin-4(3H)-one
CID 97619980

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(1-methylpiperidin-4-yl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-[methyl-(1-methylpiperidin-4-yl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one (CID 136741429) is 2-[methyl-(1-methylpiperidin-4-yl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[methyl-(1-methylpiperidin-4-yl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-[methyl-(1-methylpiperidin-4-yl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one is CN1CCC(N(C)c2nc(C(F)(F)F)cc(=O)[nH]2)CC1.
What is the InChIKey of 2-[methyl-(1-methylpiperidin-4-yl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The InChIKey is TUGQXGVRYLTQOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4O/c1-18-5-3-8(4-6-18)19(2)11-16-9(12(13,14)15)7-10(20)17-11/h7-8H,3-6H2,1-2H3,(H,16,17,20).
What are the key properties of 2-[methyl-(1-methylpiperidin-4-yl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one?
2-[methyl-(1-methylpiperidin-4-yl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one has a molecular weight of 290.29 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(1-methylpiperidin-4-yl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136741429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).