5-(2-aminoethyl)-2-methyl-4-(trifluoromethyl)-1H-pyrimidin-6-one

C8H10F3N3O — CID 136758124

IUPAC5-(2-aminoethyl)-2-methyl-4-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESCc1nc(C(F)(F)F)c(CCN)c(=O)[nH]1
InChIInChI=1S/C8H10F3N3O/c1-4-13-6(8(9,10)11)5(2-3-12)7(15)14-4/h2-3,12H2,1H3,(H,13,14,15)
InChIKeyFMDSGYRRXYCLCI-UHFFFAOYSA-N
MW221.18 g/mol
LogP0.60
Rot. Bonds2

About 5-(2-aminoethyl)-2-methyl-4-(trifluoromethyl)-1H-pyrimidin-6-one

5-(2-aminoethyl)-2-methyl-4-(trifluoromethyl)-1H-pyrimidin-6-one (PubChem CID 136758124) has the molecular formula C8H10F3N3O and a molecular weight of 221.18 g/mol. Its IUPAC name is 5-(2-aminoethyl)-2-methyl-4-(trifluoromethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(2-aminoethyl)-2-methyl-4-(trifluoromethyl)-1H-pyrimidin-6-one
PubChem CID136758124
Molecular FormulaC8H10F3N3O
Molecular Weight221.18 g/mol
Exact Mass221.08
IUPAC Name5-(2-aminoethyl)-2-methyl-4-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESCc1nc(C(F)(F)F)c(CCN)c(=O)[nH]1
InChIInChI=1S/C8H10F3N3O/c1-4-13-6(8(9,10)11)5(2-3-12)7(15)14-4/h2-3,12H2,1H3,(H,13,14,15)
InChIKeyFMDSGYRRXYCLCI-UHFFFAOYSA-N
XLogP0.60
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-2-methyl-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-(2-aminoethyl)-2-methyl-4-(trifluoromethyl)-1H-pyrimidin-6-one (CID 136758124) is 5-(2-aminoethyl)-2-methyl-4-(trifluoromethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(2-aminoethyl)-2-methyl-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-(2-aminoethyl)-2-methyl-4-(trifluoromethyl)-1H-pyrimidin-6-one is Cc1nc(C(F)(F)F)c(CCN)c(=O)[nH]1.
What is the InChIKey of 5-(2-aminoethyl)-2-methyl-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The InChIKey is FMDSGYRRXYCLCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O/c1-4-13-6(8(9,10)11)5(2-3-12)7(15)14-4/h2-3,12H2,1H3,(H,13,14,15).
What are the key properties of 5-(2-aminoethyl)-2-methyl-4-(trifluoromethyl)-1H-pyrimidin-6-one?
5-(2-aminoethyl)-2-methyl-4-(trifluoromethyl)-1H-pyrimidin-6-one has a molecular weight of 221.18 g/mol, XLogP of 0.60, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-2-methyl-4-(trifluoromethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136758124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).