2-amino-3-(naphthalen-2-ylmethylideneamino)-6-(trifluoromethyl)pyrimidin-4-one

C16H11F3N4O — CID 3745099

IUPAC2-amino-3-(naphthalen-2-ylmethylideneamino)-6-(trifluoromethyl)pyrimidin-4-one
SMILESNc1nc(C(F)(F)F)cc(=O)n1N=Cc1ccc2ccccc2c1
InChIInChI=1S/C16H11F3N4O/c17-16(18,19)13-8-14(24)23(15(20)22-13)21-9-10-5-6-11-3-1-2-4-12(11)7-10/h1-9H,(H2,20,22)
InChIKeyUUEJKPRUYKYSTJ-UHFFFAOYSA-N
MW332.29 g/mol
LogP2.88
Rot. Bonds2

About 2-amino-3-(naphthalen-2-ylmethylideneamino)-6-(trifluoromethyl)pyrimidin-4-one

2-amino-3-(naphthalen-2-ylmethylideneamino)-6-(trifluoromethyl)pyrimidin-4-one (PubChem CID 3745099) has the molecular formula C16H11F3N4O and a molecular weight of 332.29 g/mol. Its IUPAC name is 2-amino-3-(naphthalen-2-ylmethylideneamino)-6-(trifluoromethyl)pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-3-(naphthalen-2-ylmethylideneamino)-6-(trifluoromethyl)pyrimidin-4-one
PubChem CID3745099
Molecular FormulaC16H11F3N4O
Molecular Weight332.29 g/mol
Exact Mass332.09
IUPAC Name2-amino-3-(naphthalen-2-ylmethylideneamino)-6-(trifluoromethyl)pyrimidin-4-one
SMILESNc1nc(C(F)(F)F)cc(=O)n1N=Cc1ccc2ccccc2c1
InChIInChI=1S/C16H11F3N4O/c17-16(18,19)13-8-14(24)23(15(20)22-13)21-9-10-5-6-11-3-1-2-4-12(11)7-10/h1-9H,(H2,20,22)
InChIKeyUUEJKPRUYKYSTJ-UHFFFAOYSA-N
XLogP2.88
TPSA73.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.29
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(naphthalen-2-ylmethylideneamino)-6-(trifluoromethyl)pyrimidin-4-one?
The IUPAC name of 2-amino-3-(naphthalen-2-ylmethylideneamino)-6-(trifluoromethyl)pyrimidin-4-one (CID 3745099) is 2-amino-3-(naphthalen-2-ylmethylideneamino)-6-(trifluoromethyl)pyrimidin-4-one.
What is the SMILES notation for 2-amino-3-(naphthalen-2-ylmethylideneamino)-6-(trifluoromethyl)pyrimidin-4-one?
The canonical SMILES for 2-amino-3-(naphthalen-2-ylmethylideneamino)-6-(trifluoromethyl)pyrimidin-4-one is Nc1nc(C(F)(F)F)cc(=O)n1N=Cc1ccc2ccccc2c1.
What is the InChIKey of 2-amino-3-(naphthalen-2-ylmethylideneamino)-6-(trifluoromethyl)pyrimidin-4-one?
The InChIKey is UUEJKPRUYKYSTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N4O/c17-16(18,19)13-8-14(24)23(15(20)22-13)21-9-10-5-6-11-3-1-2-4-12(11)7-10/h1-9H,(H2,20,22).
What are the key properties of 2-amino-3-(naphthalen-2-ylmethylideneamino)-6-(trifluoromethyl)pyrimidin-4-one?
2-amino-3-(naphthalen-2-ylmethylideneamino)-6-(trifluoromethyl)pyrimidin-4-one has a molecular weight of 332.29 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(naphthalen-2-ylmethylideneamino)-6-(trifluoromethyl)pyrimidin-4-one is sourced from PubChem (CID 3745099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).