2-[bis(2-methoxyethyl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one

C11H16F3N3O3 — CID 136741434

IUPAC2-[bis(2-methoxyethyl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESCOCCN(CCOC)c1nc(C(F)(F)F)cc(=O)[nH]1
InChIInChI=1S/C11H16F3N3O3/c1-19-5-3-17(4-6-20-2)10-15-8(11(12,13)14)7-9(18)16-10/h7H,3-6H2,1-2H3,(H,15,16,18)
InChIKeyNBIZMAVVKAOJQS-UHFFFAOYSA-N
MW295.26 g/mol
LogP0.89
Rot. Bonds7

About 2-[bis(2-methoxyethyl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one

2-[bis(2-methoxyethyl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one (PubChem CID 136741434) has the molecular formula C11H16F3N3O3 and a molecular weight of 295.26 g/mol. Its IUPAC name is 2-[bis(2-methoxyethyl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[bis(2-methoxyethyl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one
PubChem CID136741434
Molecular FormulaC11H16F3N3O3
Molecular Weight295.26 g/mol
Exact Mass295.11
IUPAC Name2-[bis(2-methoxyethyl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESCOCCN(CCOC)c1nc(C(F)(F)F)cc(=O)[nH]1
InChIInChI=1S/C11H16F3N3O3/c1-19-5-3-17(4-6-20-2)10-15-8(11(12,13)14)7-9(18)16-10/h7H,3-6H2,1-2H3,(H,15,16,18)
InChIKeyNBIZMAVVKAOJQS-UHFFFAOYSA-N
XLogP0.89
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.26
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-methoxyethyl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-[bis(2-methoxyethyl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one (CID 136741434) is 2-[bis(2-methoxyethyl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[bis(2-methoxyethyl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-[bis(2-methoxyethyl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one is COCCN(CCOC)c1nc(C(F)(F)F)cc(=O)[nH]1.
What is the InChIKey of 2-[bis(2-methoxyethyl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The InChIKey is NBIZMAVVKAOJQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O3/c1-19-5-3-17(4-6-20-2)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-[bis(2-methoxyethyl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one?
2-[bis(2-methoxyethyl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one has a molecular weight of 295.26 g/mol, XLogP of 0.89, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-methoxyethyl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136741434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).