6-methyl-2-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine-4-carboximidamide

C12H16F3N5 — CID 107550566

IUPAC6-methyl-2-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(C)nc(N2CCC(C(F)(F)F)CC2)n1
InChIInChI=1S/C12H16F3N5/c1-7-6-9(10(16)17)19-11(18-7)20-4-2-8(3-5-20)12(13,14)15/h6,8H,2-5H2,1H3,(H3,16,17)
InChIKeyKFOWMFFMYUTKMR-UHFFFAOYSA-N
MW287.29 g/mol
LogP1.85
Rot. Bonds2

About 6-methyl-2-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine-4-carboximidamide

6-methyl-2-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine-4-carboximidamide (PubChem CID 107550566) has the molecular formula C12H16F3N5 and a molecular weight of 287.29 g/mol. Its IUPAC name is 6-methyl-2-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine-4-carboximidamide.

Molecular Properties

Compound Name6-methyl-2-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine-4-carboximidamide
PubChem CID107550566
Molecular FormulaC12H16F3N5
Molecular Weight287.29 g/mol
Exact Mass287.14
IUPAC Name6-methyl-2-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(C)nc(N2CCC(C(F)(F)F)CC2)n1
InChIInChI=1S/C12H16F3N5/c1-7-6-9(10(16)17)19-11(18-7)20-4-2-8(3-5-20)12(13,14)15/h6,8H,2-5H2,1H3,(H3,16,17)
InChIKeyKFOWMFFMYUTKMR-UHFFFAOYSA-N
XLogP1.85
TPSA78.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-(4-tert-butylpiperidin-1-yl)-6-methylpyrimidine-4-carboximidamide
CID 107550402
2-(4-ethylpiperidin-1-yl)-6-methylpyrimidine-4-carboximidamide
CID 107550246
6-methyl-2-thiomorpholin-4-ylpyrimidine-4-carboximidamide
CID 107550114
2-(3,4-dihydroxypyrrolidin-1-yl)-6-methylpyrimidine-4-carboximidamide
CID 107550744
2-(4-tert-butylpiperidin-1-yl)-6-methylpyrimidine-4-carbothioamide
CID 107547245
2-(2,4-dimethylpiperidin-1-yl)-6-methylpyrimidine-4-carboximidamide
CID 107550425
2,6-dimethyl-4-[3-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboximidamide
CID 81037572
2,6-dimethyl-4-[4-(trifluoromethyl)piperidin-1-yl]pyridine-3-carbothioamide
CID 81035294
6-methyl-2-[methyl-(1-methylpiperidin-4-yl)amino]pyrimidine-4-carboximidamide
CID 107550091
2-[cyclopropyl(methyl)amino]-6-methylpyrimidine-4-carboximidamide
CID 107550128
6-methyl-2-(2,2,6-trimethylmorpholin-4-yl)pyrimidine-4-carboximidamide
CID 107550371
2-(3-cyclopropylpyrazol-1-yl)-6-methylpyrimidine-4-carboximidamide
CID 107550799

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine-4-carboximidamide?
The IUPAC name of 6-methyl-2-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine-4-carboximidamide (CID 107550566) is 6-methyl-2-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine-4-carboximidamide.
What is the SMILES notation for 6-methyl-2-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine-4-carboximidamide?
The canonical SMILES for 6-methyl-2-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine-4-carboximidamide is [H]/N=C(\N)c1cc(C)nc(N2CCC(C(F)(F)F)CC2)n1.
What is the InChIKey of 6-methyl-2-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine-4-carboximidamide?
The InChIKey is KFOWMFFMYUTKMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N5/c1-7-6-9(10(16)17)19-11(18-7)20-4-2-8(3-5-20)12(13,14)15/h6,8H,2-5H2,1H3,(H3,16,17).
What are the key properties of 6-methyl-2-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine-4-carboximidamide?
6-methyl-2-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine-4-carboximidamide has a molecular weight of 287.29 g/mol, XLogP of 1.85, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine-4-carboximidamide is sourced from PubChem (CID 107550566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).