2-(dibutylamino)-4-(trifluoromethyl)-1H-pyrimidin-6-one

C13H20F3N3O — CID 135603403

IUPAC2-(dibutylamino)-4-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESCCCCN(CCCC)c1nc(C(F)(F)F)cc(=O)[nH]1
InChIInChI=1S/C13H20F3N3O/c1-3-5-7-19(8-6-4-2)12-17-10(13(14,15)16)9-11(20)18-12/h9H,3-8H2,1-2H3,(H,17,18,20)
InChIKeyCXBKFRSQFRQLEW-UHFFFAOYSA-N
MW291.32 g/mol
LogP3.20
Rot. Bonds7

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

2-(dibutylamino)-4-(trifluoromethyl)-1H-pyrimidin-6-one (PubChem CID 135603403) has the molecular formula C13H20F3N3O and a molecular weight of 291.32 g/mol. Its IUPAC name is 2-(dibutylamino)-4-(trifluoromethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(dibutylamino)-4-(trifluoromethyl)-1H-pyrimidin-6-one
PubChem CID135603403
Molecular FormulaC13H20F3N3O
Molecular Weight291.32 g/mol
Exact Mass291.16
IUPAC Name2-(dibutylamino)-4-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESCCCCN(CCCC)c1nc(C(F)(F)F)cc(=O)[nH]1
InChIInChI=1S/C13H20F3N3O/c1-3-5-7-19(8-6-4-2)12-17-10(13(14,15)16)9-11(20)18-12/h9H,3-8H2,1-2H3,(H,17,18,20)
InChIKeyCXBKFRSQFRQLEW-UHFFFAOYSA-N
XLogP3.20
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(diethylamino)-6-methyl-1H-pyrimidin-4-one
CID 135448147
6-Methyl-2-(pyrrolidin-1-yl)pyrimidin-4-ol
CID 135401880
2-(Dimethylamino)-6-(trifluoromethyl)pyrimidin-4(1H)-one
CID 135472882
2-(Dibutylamino)-6-methylpyrimidin-4(1H)-one
CID 135547801
2-(Propylamino)-6-(trifluoromethyl)pyrimidin-4-ol
CID 136388272
N-[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]-N-propylacetamide
CID 172437682
2-Butylureido-6-methyl-4-pyrimidinone
CID 135708798
2-(1-Pyrrolidinyl)-6-(trifluoromethyl)-4-pyrimidinol
CID 135406792
2-(Ethylamino)-6-(trifluoromethyl)-4-pyrimidinol
CID 135484722
2-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)pyrimidin-4(3H)-one
CID 135644916
2-methyl-7-(trifluoromethyl)-1H-imidazo[1,2-a]pyrimidin-5-one
CID 125486355
2-(Methylamino)-6-(trifluoromethyl)pyrimidin-4-ol
CID 135829729

Frequently Asked Questions

What is the IUPAC name of 2-(dibutylamino)-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(dibutylamino)-4-(trifluoromethyl)-1H-pyrimidin-6-one (CID 135603403) is 2-(dibutylamino)-4-(trifluoromethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(dibutylamino)-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(dibutylamino)-4-(trifluoromethyl)-1H-pyrimidin-6-one is CCCCN(CCCC)c1nc(C(F)(F)F)cc(=O)[nH]1.
What is the InChIKey of 2-(dibutylamino)-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The InChIKey is CXBKFRSQFRQLEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3O/c1-3-5-7-19(8-6-4-2)12-17-10(13(14,15)16)9-11(20)18-12/h9H,3-8H2,1-2H3,(H,17,18,20).
What are the key properties of 2-(dibutylamino)-4-(trifluoromethyl)-1H-pyrimidin-6-one?
2-(dibutylamino)-4-(trifluoromethyl)-1H-pyrimidin-6-one has a molecular weight of 291.32 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dibutylamino)-4-(trifluoromethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135603403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).