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

C11H16F3N3O — CID 135603402

IUPAC2-(dipropylamino)-4-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESCCCN(CCC)c1nc(C(F)(F)F)cc(=O)[nH]1
InChIInChI=1S/C11H16F3N3O/c1-3-5-17(6-4-2)10-15-8(11(12,13)14)7-9(18)16-10/h7H,3-6H2,1-2H3,(H,15,16,18)
InChIKeyCXEVZXFIVLPPJS-UHFFFAOYSA-N
MW263.26 g/mol
LogP2.42
Rot. Bonds5

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

2-(dipropylamino)-4-(trifluoromethyl)-1H-pyrimidin-6-one (PubChem CID 135603402) has the molecular formula C11H16F3N3O and a molecular weight of 263.26 g/mol. Its IUPAC name is 2-(dipropylamino)-4-(trifluoromethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(dipropylamino)-4-(trifluoromethyl)-1H-pyrimidin-6-one
PubChem CID135603402
Molecular FormulaC11H16F3N3O
Molecular Weight263.26 g/mol
Exact Mass263.12
IUPAC Name2-(dipropylamino)-4-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESCCCN(CCC)c1nc(C(F)(F)F)cc(=O)[nH]1
InChIInChI=1S/C11H16F3N3O/c1-3-5-17(6-4-2)10-15-8(11(12,13)14)7-9(18)16-10/h7H,3-6H2,1-2H3,(H,15,16,18)
InChIKeyCXEVZXFIVLPPJS-UHFFFAOYSA-N
XLogP2.42
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 52.42
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-(trifluoromethyl)-6,7,8,9-tetrahydro-4H-pyrimido[1,2-a]pyrimidin-4-one
CID 136325827
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-(dipropylamino)-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(dipropylamino)-4-(trifluoromethyl)-1H-pyrimidin-6-one (CID 135603402) is 2-(dipropylamino)-4-(trifluoromethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(dipropylamino)-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(dipropylamino)-4-(trifluoromethyl)-1H-pyrimidin-6-one is CCCN(CCC)c1nc(C(F)(F)F)cc(=O)[nH]1.
What is the InChIKey of 2-(dipropylamino)-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The InChIKey is CXEVZXFIVLPPJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O/c1-3-5-17(6-4-2)10-15-8(11(12,13)14)7-9(18)16-10/h7H,3-6H2,1-2H3,(H,15,16,18).
What are the key properties of 2-(dipropylamino)-4-(trifluoromethyl)-1H-pyrimidin-6-one?
2-(dipropylamino)-4-(trifluoromethyl)-1H-pyrimidin-6-one has a molecular weight of 263.26 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dipropylamino)-4-(trifluoromethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135603402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).