4,6-dimethyl-1-[2-(2,2,2-trifluoroethylamino)ethyl]pyrimidin-2-one

C10H14F3N3O — CID 62563288

IUPAC4,6-dimethyl-1-[2-(2,2,2-trifluoroethylamino)ethyl]pyrimidin-2-one
SMILESCc1cc(C)n(CCNCC(F)(F)F)c(=O)n1
InChIInChI=1S/C10H14F3N3O/c1-7-5-8(2)16(9(17)15-7)4-3-14-6-10(11,12)13/h5,14H,3-4,6H2,1-2H3
InChIKeyXJXKUTCFFSCRBN-UHFFFAOYSA-N
MW249.24 g/mol
LogP1.01
Rot. Bonds4

About 4,6-dimethyl-1-[2-(2,2,2-trifluoroethylamino)ethyl]pyrimidin-2-one

4,6-dimethyl-1-[2-(2,2,2-trifluoroethylamino)ethyl]pyrimidin-2-one (PubChem CID 62563288) has the molecular formula C10H14F3N3O and a molecular weight of 249.24 g/mol. Its IUPAC name is 4,6-dimethyl-1-[2-(2,2,2-trifluoroethylamino)ethyl]pyrimidin-2-one.

Molecular Properties

Compound Name4,6-dimethyl-1-[2-(2,2,2-trifluoroethylamino)ethyl]pyrimidin-2-one
PubChem CID62563288
Molecular FormulaC10H14F3N3O
Molecular Weight249.24 g/mol
Exact Mass249.11
IUPAC Name4,6-dimethyl-1-[2-(2,2,2-trifluoroethylamino)ethyl]pyrimidin-2-one
SMILESCc1cc(C)n(CCNCC(F)(F)F)c(=O)n1
InChIInChI=1S/C10H14F3N3O/c1-7-5-8(2)16(9(17)15-7)4-3-14-6-10(11,12)13/h5,14H,3-4,6H2,1-2H3
InChIKeyXJXKUTCFFSCRBN-UHFFFAOYSA-N
XLogP1.01
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-Methyl-1-prop-2-enyl-4-(trifluoromethyl)pyrimidin-2-one
CID 25169675
1-(3-Amino-1,1,1-trifluoropropan-2-yl)-4,6-dimethylpyrimidin-2-one
CID 43752778
1-(4-Amino-1,1,1-trifluorobutan-2-yl)-4,6-dimethylpyrimidin-2-one
CID 43753201
5-Bromo-4,6-dimethyl-1-[2-(2,2,2-trifluoroethylamino)ethyl]pyrimidin-2-one
CID 81694524
6-(aminomethyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one
CID 82402396
6-(1-aminoethyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one
CID 83848427
6-(methylaminomethyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one
CID 83848429
1-[2-(Aminomethyl)-3,3,3-trifluoropropyl]-4,6-dimethylpyrimidin-2-one
CID 103366508
1-(2-aminoethyl)-4,6-dimethylpyrimidin-2(1H)-one
CID 1511764
4,6-Dimethyl-1-[2-(methylamino)ethyl]pyrimidin-2-one
CID 61386999
4,6-Dimethyl-1-[2-(propan-2-ylamino)ethyl]pyrimidin-2-one
CID 61387026
4,6-Dimethyl-1-[2-(sulfanylamino)ethyl]pyrimidin-2-one
CID 123478764

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-1-[2-(2,2,2-trifluoroethylamino)ethyl]pyrimidin-2-one?
The IUPAC name of 4,6-dimethyl-1-[2-(2,2,2-trifluoroethylamino)ethyl]pyrimidin-2-one (CID 62563288) is 4,6-dimethyl-1-[2-(2,2,2-trifluoroethylamino)ethyl]pyrimidin-2-one.
What is the SMILES notation for 4,6-dimethyl-1-[2-(2,2,2-trifluoroethylamino)ethyl]pyrimidin-2-one?
The canonical SMILES for 4,6-dimethyl-1-[2-(2,2,2-trifluoroethylamino)ethyl]pyrimidin-2-one is Cc1cc(C)n(CCNCC(F)(F)F)c(=O)n1.
What is the InChIKey of 4,6-dimethyl-1-[2-(2,2,2-trifluoroethylamino)ethyl]pyrimidin-2-one?
The InChIKey is XJXKUTCFFSCRBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O/c1-7-5-8(2)16(9(17)15-7)4-3-14-6-10(11,12)13/h5,14H,3-4,6H2,1-2H3.
What are the key properties of 4,6-dimethyl-1-[2-(2,2,2-trifluoroethylamino)ethyl]pyrimidin-2-one?
4,6-dimethyl-1-[2-(2,2,2-trifluoroethylamino)ethyl]pyrimidin-2-one has a molecular weight of 249.24 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-1-[2-(2,2,2-trifluoroethylamino)ethyl]pyrimidin-2-one is sourced from PubChem (CID 62563288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).