3-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-1-methylpiperidine-2,6-dione

C11H12F3N5O2 — CID 106772364

IUPAC3-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-1-methylpiperidine-2,6-dione
SMILESCN1C(=O)CCC(Nc2cc(N)nc(C(F)(F)F)n2)C1=O
InChIInChI=1S/C11H12F3N5O2/c1-19-8(20)3-2-5(9(19)21)16-7-4-6(15)17-10(18-7)11(12,13)14/h4-5H,2-3H2,1H3,(H3,15,16,17,18)
InChIKeyHRIXPDAMDFAZAA-UHFFFAOYSA-N
MW303.24 g/mol
LogP0.64
Rot. Bonds2

About 3-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-1-methylpiperidine-2,6-dione

3-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-1-methylpiperidine-2,6-dione (PubChem CID 106772364) has the molecular formula C11H12F3N5O2 and a molecular weight of 303.24 g/mol. Its IUPAC name is 3-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-1-methylpiperidine-2,6-dione.

Molecular Properties

Compound Name3-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-1-methylpiperidine-2,6-dione
PubChem CID106772364
Molecular FormulaC11H12F3N5O2
Molecular Weight303.24 g/mol
Exact Mass303.09
IUPAC Name3-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-1-methylpiperidine-2,6-dione
SMILESCN1C(=O)CCC(Nc2cc(N)nc(C(F)(F)F)n2)C1=O
InChIInChI=1S/C11H12F3N5O2/c1-19-8(20)3-2-5(9(19)21)16-7-4-6(15)17-10(18-7)11(12,13)14/h4-5H,2-3H2,1H3,(H3,15,16,17,18)
InChIKeyHRIXPDAMDFAZAA-UHFFFAOYSA-N
XLogP0.64
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.24
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-((3s,4s)-4-Amino-1-(6-(3,3-difluoropyrrolidin-1-yl)-2-methylpyrimidin-4-yl)pyrrolidin-3-yl)-5,5-difluoropiperidin-2-one
CID 53324213
1-(4-(6-(Ethylamino)-2-methylpyrimidin-4-yl)piperazin-1-yl)butan-1-one
CID 50946039
2-acetamido-N-{1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl}acetamide
CID 91631455
N-[1-(6-aminopyrimidin-4-yl)piperidin-3-yl]-2,2,2-trifluoroacetamide
CID 21934597
1-[(3S,4S)-4-amino-1-[2-tert-butyl-6-(3,3-difluoropyrrolidin-1-yl)pyrimidin-4-yl]pyrrolidin-3-yl]piperidin-2-one
CID 68839371
1-[(3S,4R)-4-amino-1-[2-tert-butyl-6-(3,3-difluoropyrrolidin-1-yl)pyrimidin-4-yl]pyrrolidin-3-yl]piperidin-2-one
CID 68839372
1-[(3S,4R)-4-amino-1-[6-(3,3-difluoropyrrolidin-1-yl)-2-methylpyrimidin-4-yl]pyrrolidin-3-yl]-5,5-difluoropiperidin-2-one
CID 68840859
1-[(3S,4S)-4-amino-1-[6-(3,3-difluoropyrrolidin-1-yl)-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-yl]piperidin-2-one
CID 68843910
1-[(3S,4R)-4-amino-1-[6-(3,3-difluoropyrrolidin-1-yl)-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-yl]piperidin-2-one
CID 68843913
1-[4-Amino-1-[6-(3,3-difluoropyrrolidin-1-yl)-2-methylpyrimidin-4-yl]pyrrolidin-3-yl]-5,5-difluoropiperidin-2-one
CID 76010863
1-[4-Amino-1-[2-tert-butyl-6-(3,3-difluoropyrrolidin-1-yl)pyrimidin-4-yl]pyrrolidin-3-yl]piperidin-2-one
CID 77561672
1-[4-Amino-1-[6-(3,3-difluoropyrrolidin-1-yl)-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-yl]piperidin-2-one
CID 77562458

Frequently Asked Questions

What is the IUPAC name of 3-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-1-methylpiperidine-2,6-dione?
The IUPAC name of 3-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-1-methylpiperidine-2,6-dione (CID 106772364) is 3-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-1-methylpiperidine-2,6-dione.
What is the SMILES notation for 3-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-1-methylpiperidine-2,6-dione?
The canonical SMILES for 3-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-1-methylpiperidine-2,6-dione is CN1C(=O)CCC(Nc2cc(N)nc(C(F)(F)F)n2)C1=O.
What is the InChIKey of 3-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-1-methylpiperidine-2,6-dione?
The InChIKey is HRIXPDAMDFAZAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N5O2/c1-19-8(20)3-2-5(9(19)21)16-7-4-6(15)17-10(18-7)11(12,13)14/h4-5H,2-3H2,1H3,(H3,15,16,17,18).
What are the key properties of 3-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-1-methylpiperidine-2,6-dione?
3-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-1-methylpiperidine-2,6-dione has a molecular weight of 303.24 g/mol, XLogP of 0.64, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-1-methylpiperidine-2,6-dione is sourced from PubChem (CID 106772364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).