N-piperidin-3-yl-5-(trifluoromethyl)pyrimidin-4-amine

C10H13F3N4 — CID 67261839

IUPACN-piperidin-3-yl-5-(trifluoromethyl)pyrimidin-4-amine
SMILESFC(F)(F)c1cncnc1NC1CCCNC1
InChIInChI=1S/C10H13F3N4/c11-10(12,13)8-5-15-6-16-9(8)17-7-2-1-3-14-4-7/h5-7,14H,1-4H2,(H,15,16,17)
InChIKeyLPHMGDLRZRZUFJ-UHFFFAOYSA-N
MW246.24 g/mol
LogP1.66
Rot. Bonds2

About N-piperidin-3-yl-5-(trifluoromethyl)pyrimidin-4-amine

N-piperidin-3-yl-5-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 67261839) has the molecular formula C10H13F3N4 and a molecular weight of 246.24 g/mol. Its IUPAC name is N-piperidin-3-yl-5-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-piperidin-3-yl-5-(trifluoromethyl)pyrimidin-4-amine
PubChem CID67261839
Molecular FormulaC10H13F3N4
Molecular Weight246.24 g/mol
Exact Mass246.11
IUPAC NameN-piperidin-3-yl-5-(trifluoromethyl)pyrimidin-4-amine
SMILESFC(F)(F)c1cncnc1NC1CCCNC1
InChIInChI=1S/C10H13F3N4/c11-10(12,13)8-5-15-6-16-9(8)17-7-2-1-3-14-4-7/h5-7,14H,1-4H2,(H,15,16,17)
InChIKeyLPHMGDLRZRZUFJ-UHFFFAOYSA-N
XLogP1.66
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-cyclohexyl-5-fluoropyrimidin-4-amine
CID 3573094
5-Methyl-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 25130908
4-Amino-2-cyclohexylamino-5-pyrimidinecarbonitrile
CID 4163635
5-Fluoro-2-(piperazin-1-yl)pyrimidine
CID 10058158
5-Fluoro-2-(piperidin-1-yl)pyrimidin-4-amine
CID 745185
4-N-piperidin-4-ylpyrimidine-2,4-diamine
CID 49857015
US10266549, Example 203
CID 118905970
US10266549, Example 168c
CID 118908038
5-methyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pyrimidin-2-amine
CID 72859157
5-ethyl-N~4~-(2-piperidin-1-ylethyl)pyrimidine-2,4-diamine
CID 72922646
5-methyl-N-(2-methyl-2-piperidin-1-ylpropyl)pyrimidin-2-amine
CID 72928341
N-methyl-5-[[methyl(2-piperidin-1-ylethyl)amino]methyl]pyrimidin-2-amine
CID 73945372

Frequently Asked Questions

What is the IUPAC name of N-piperidin-3-yl-5-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-piperidin-3-yl-5-(trifluoromethyl)pyrimidin-4-amine (CID 67261839) is N-piperidin-3-yl-5-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-piperidin-3-yl-5-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-piperidin-3-yl-5-(trifluoromethyl)pyrimidin-4-amine is FC(F)(F)c1cncnc1NC1CCCNC1.
What is the InChIKey of N-piperidin-3-yl-5-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is LPHMGDLRZRZUFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4/c11-10(12,13)8-5-15-6-16-9(8)17-7-2-1-3-14-4-7/h5-7,14H,1-4H2,(H,15,16,17).
What are the key properties of N-piperidin-3-yl-5-(trifluoromethyl)pyrimidin-4-amine?
N-piperidin-3-yl-5-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 246.24 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-3-yl-5-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 67261839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).