1-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide

C11H14F3N5O — CID 106769928

IUPAC1-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2cc(N)nc(C(F)(F)F)n2)CC1
InChIInChI=1S/C11H14F3N5O/c12-11(13,14)10-17-7(15)5-8(18-10)19-3-1-6(2-4-19)9(16)20/h5-6H,1-4H2,(H2,16,20)(H2,15,17,18)
InChIKeyVBBIBEJGCONABT-UHFFFAOYSA-N
MW289.26 g/mol
LogP0.78
Rot. Bonds2

About 1-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide

1-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide (PubChem CID 106769928) has the molecular formula C11H14F3N5O and a molecular weight of 289.26 g/mol. Its IUPAC name is 1-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
PubChem CID106769928
Molecular FormulaC11H14F3N5O
Molecular Weight289.26 g/mol
Exact Mass289.12
IUPAC Name1-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2cc(N)nc(C(F)(F)F)n2)CC1
InChIInChI=1S/C11H14F3N5O/c12-11(13,14)10-17-7(15)5-8(18-10)19-3-1-6(2-4-19)9(16)20/h5-6H,1-4H2,(H2,16,20)(H2,15,17,18)
InChIKeyVBBIBEJGCONABT-UHFFFAOYSA-N
XLogP0.78
TPSA98.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-pyrrolidin-1-yl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106770242
1-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-ol
CID 106771825
1-[1-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]ethanol
CID 106839876
6-(3,4-dimethylpiperidin-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106773226
6-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 106771344
1-(6-aminopyrimidin-4-yl)piperidine-4-carboxamide
CID 78929761
1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 608445
6-(3-propylpyrrolidin-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106772949
1-[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]piperidine-4-carboxamide
CID 21003576
1-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 106769882
1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide
CID 44824534
7-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 106772418

Frequently Asked Questions

What is the IUPAC name of 1-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide (CID 106769928) is 1-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide is NC(=O)C1CCN(c2cc(N)nc(C(F)(F)F)n2)CC1.
What is the InChIKey of 1-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide?
The InChIKey is VBBIBEJGCONABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N5O/c12-11(13,14)10-17-7(15)5-8(18-10)19-3-1-6(2-4-19)9(16)20/h5-6H,1-4H2,(H2,16,20)(H2,15,17,18).
What are the key properties of 1-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide?
1-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide has a molecular weight of 289.26 g/mol, XLogP of 0.78, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 106769928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).