N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]pyrimidin-4-amine

C14H15F3N6 — CID 126887197

IUPACN-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]pyrimidin-4-amine
SMILESFC(F)(F)c1ccnc(N2CCC(Nc3ccncn3)CC2)n1
InChIInChI=1S/C14H15F3N6/c15-14(16,17)11-1-6-19-13(22-11)23-7-3-10(4-8-23)21-12-2-5-18-9-20-12/h1-2,5-6,9-10H,3-4,7-8H2,(H,18,20,21)
InChIKeyVGZGVOQUPVACRJ-UHFFFAOYSA-N
MW324.31 g/mol
LogP2.37
Rot. Bonds3

About N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]pyrimidin-4-amine

N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]pyrimidin-4-amine (PubChem CID 126887197) has the molecular formula C14H15F3N6 and a molecular weight of 324.31 g/mol. Its IUPAC name is N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]pyrimidin-4-amine
PubChem CID126887197
Molecular FormulaC14H15F3N6
Molecular Weight324.31 g/mol
Exact Mass324.13
IUPAC NameN-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]pyrimidin-4-amine
SMILESFC(F)(F)c1ccnc(N2CCC(Nc3ccncn3)CC2)n1
InChIInChI=1S/C14H15F3N6/c15-14(16,17)11-1-6-19-13(22-11)23-7-3-10(4-8-23)21-12-2-5-18-9-20-12/h1-2,5-6,9-10H,3-4,7-8H2,(H,18,20,21)
InChIKeyVGZGVOQUPVACRJ-UHFFFAOYSA-N
XLogP2.37
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.31
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]carbamic acid
CID 67365390
[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanol
CID 26986145
2-(4-ethoxypiperidin-1-yl)-4-(trifluoromethyl)pyrimidine
CID 133271291
N-[1-(1-methylbenzimidazol-2-yl)piperidin-4-yl]pyrimidin-4-amine
CID 126887226
2-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethylcarbamic acid
CID 67364339
N-methyl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanesulfonamide
CID 48736158
5-methyl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-1,2-oxazole-3-carboxamide
CID 47075099
3-methyl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-1,2-oxazole-5-carboxamide
CID 47089197
N-[1-(6-cyclopropylpyridazin-3-yl)piperidin-4-yl]pyrimidin-4-amine
CID 126887238
2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]-4-(trifluoromethyl)pyrimidine
CID 51104267
N-[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]pyrimidin-4-amine
CID 171336242
methyl 1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-3-carboxylate
CID 112731125

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]pyrimidin-4-amine?
The IUPAC name of N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]pyrimidin-4-amine (CID 126887197) is N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]pyrimidin-4-amine.
What is the SMILES notation for N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]pyrimidin-4-amine?
The canonical SMILES for N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]pyrimidin-4-amine is FC(F)(F)c1ccnc(N2CCC(Nc3ccncn3)CC2)n1.
What is the InChIKey of N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]pyrimidin-4-amine?
The InChIKey is VGZGVOQUPVACRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N6/c15-14(16,17)11-1-6-19-13(22-11)23-7-3-10(4-8-23)21-12-2-5-18-9-20-12/h1-2,5-6,9-10H,3-4,7-8H2,(H,18,20,21).
What are the key properties of N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]pyrimidin-4-amine?
N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]pyrimidin-4-amine has a molecular weight of 324.31 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]pyrimidin-4-amine is sourced from PubChem (CID 126887197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).