5-[[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-2-one

C12H16F3N5O — CID 114565081

IUPAC5-[[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-2-one
SMILESCCNc1nc(NC2CCC(=O)NC2)cc(C(F)(F)F)n1
InChIInChI=1S/C12H16F3N5O/c1-2-16-11-19-8(12(13,14)15)5-9(20-11)18-7-3-4-10(21)17-6-7/h5,7H,2-4,6H2,1H3,(H,17,21)(H2,16,18,19,20)
InChIKeyLRDSLDYKFRNSHH-UHFFFAOYSA-N
MW303.29 g/mol
LogP1.62
Rot. Bonds4

About 5-[[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-2-one

5-[[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-2-one (PubChem CID 114565081) has the molecular formula C12H16F3N5O and a molecular weight of 303.29 g/mol. Its IUPAC name is 5-[[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-2-one.

Molecular Properties

Compound Name5-[[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-2-one
PubChem CID114565081
Molecular FormulaC12H16F3N5O
Molecular Weight303.29 g/mol
Exact Mass303.13
IUPAC Name5-[[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-2-one
SMILESCCNc1nc(NC2CCC(=O)NC2)cc(C(F)(F)F)n1
InChIInChI=1S/C12H16F3N5O/c1-2-16-11-19-8(12(13,14)15)5-9(20-11)18-7-3-4-10(21)17-6-7/h5,7H,2-4,6H2,1H3,(H,17,21)(H2,16,18,19,20)
InChIKeyLRDSLDYKFRNSHH-UHFFFAOYSA-N
XLogP1.62
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.29
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-cyclopentyl-2-N-ethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114563838
4-N-(1,1-dioxothiolan-3-yl)-2-N-ethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114563891
5-[[6-(ethylamino)pyrimidin-4-yl]amino]piperidin-2-one
CID 80834672
3-[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidine-2,6-dione
CID 114565360
5-[[2-(ethylamino)quinazolin-4-yl]amino]piperidin-2-one
CID 80816791
5-[(6-amino-2-tert-butylpyrimidin-4-yl)amino]piperidin-2-one
CID 80957649
2-[[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 114564872
5-[(6-chloro-2-propylpyrimidin-4-yl)amino]piperidin-2-one
CID 80946515
5-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]piperidin-2-one
CID 80833810
4-N-cyclopropyl-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114563830
4-N-(oxan-4-yl)-2-N-propyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564199
4-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]pyrrolidin-2-one
CID 106198352

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-2-one?
The IUPAC name of 5-[[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-2-one (CID 114565081) is 5-[[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-2-one.
What is the SMILES notation for 5-[[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-2-one?
The canonical SMILES for 5-[[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-2-one is CCNc1nc(NC2CCC(=O)NC2)cc(C(F)(F)F)n1.
What is the InChIKey of 5-[[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-2-one?
The InChIKey is LRDSLDYKFRNSHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N5O/c1-2-16-11-19-8(12(13,14)15)5-9(20-11)18-7-3-4-10(21)17-6-7/h5,7H,2-4,6H2,1H3,(H,17,21)(H2,16,18,19,20).
What are the key properties of 5-[[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-2-one?
5-[[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-2-one has a molecular weight of 303.29 g/mol, XLogP of 1.62, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-2-one is sourced from PubChem (CID 114565081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).