2-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one

C10H13F3N4O — CID 135644916

IUPAC2-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESCN1CCN(c2nc(C(F)(F)F)cc(=O)[nH]2)CC1
InChIInChI=1S/C10H13F3N4O/c1-16-2-4-17(5-3-16)9-14-7(10(11,12)13)6-8(18)15-9/h6H,2-5H2,1H3,(H,14,15,18)
InChIKeyYKLAYPRETVJYSQ-UHFFFAOYSA-N
MW262.23 g/mol
LogP0.54
Rot. Bonds1

About 2-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one

2-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one (PubChem CID 135644916) has the molecular formula C10H13F3N4O and a molecular weight of 262.23 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one
PubChem CID135644916
Molecular FormulaC10H13F3N4O
Molecular Weight262.23 g/mol
Exact Mass262.10
IUPAC Name2-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESCN1CCN(c2nc(C(F)(F)F)cc(=O)[nH]2)CC1
InChIInChI=1S/C10H13F3N4O/c1-16-2-4-17(5-3-16)9-14-7(10(11,12)13)6-8(18)15-9/h6H,2-5H2,1H3,(H,14,15,18)
InChIKeyYKLAYPRETVJYSQ-UHFFFAOYSA-N
XLogP0.54
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-Amino-2-(4-methyl-1-piperazinyl)-4(3H)-pyrimidinone
CID 135517723
2-(Dimethylamino)-6-(trifluoromethyl)pyrimidin-4(1H)-one
CID 135472882
2-Amino-6-(4-methyl-1-piperazinyl)-4(3h)-pyrimidinone
CID 135897837
2-(trifluoromethyl)-6,7,8,9-tetrahydro-4H-pyrimido[1,2-a]pyrimidin-4-one
CID 136325827
2-(4-Hydroxy-6-trifluoromethyl-pyrimidin-2-ylamino)-1-piperidin-1-yl-ethanone
CID 136048721
2-(Propylamino)-6-(trifluoromethyl)pyrimidin-4-ol
CID 136388272
N-[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]-N-propylacetamide
CID 172437682
6-Methyl-2-(piperazin-1-yl)-3,4-dihydropyrimidin-4-one dihydrochloride
CID 137153517
2-(Ethylamino)-6-(trifluoromethyl)-4-pyrimidinol
CID 135484722
6-(2,2,2-trifluoroethylamino)-3,4-dihydro-2H-pyrazino[1,2-c]pyrimidine-1,8-dione
CID 129079855
3-(2,2,2-trifluoroethylamino)-3,4-dihydro-2H-pyrazino[1,2-c]pyrimidine-1,8-dione
CID 129079856
2-Piperazin-1-yl-6-trifluoromethyl-3H-pyrimidin-4-one
CID 136103243

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one (CID 135644916) is 2-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one is CN1CCN(c2nc(C(F)(F)F)cc(=O)[nH]2)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The InChIKey is YKLAYPRETVJYSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4O/c1-16-2-4-17(5-3-16)9-14-7(10(11,12)13)6-8(18)15-9/h6H,2-5H2,1H3,(H,14,15,18).
What are the key properties of 2-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one?
2-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one has a molecular weight of 262.23 g/mol, XLogP of 0.54, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135644916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).