2-[[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methyl]pyrimidin-4-amine

C14H17F3N6 — CID 128995129

IUPAC2-[[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methyl]pyrimidin-4-amine
SMILESNc1ccnc(CN2CCCC(c3ncc(C(F)(F)F)[nH]3)C2)n1
InChIInChI=1S/C14H17F3N6/c15-14(16,17)10-6-20-13(21-10)9-2-1-5-23(7-9)8-12-19-4-3-11(18)22-12/h3-4,6,9H,1-2,5,7-8H2,(H,20,21)(H2,18,19,22)
InChIKeySLPMLJUXDHJTHO-UHFFFAOYSA-N
MW326.33 g/mol
LogP2.18
Rot. Bonds3

About 2-[[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methyl]pyrimidin-4-amine

2-[[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methyl]pyrimidin-4-amine (PubChem CID 128995129) has the molecular formula C14H17F3N6 and a molecular weight of 326.33 g/mol. Its IUPAC name is 2-[[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methyl]pyrimidin-4-amine
PubChem CID128995129
Molecular FormulaC14H17F3N6
Molecular Weight326.33 g/mol
Exact Mass326.15
IUPAC Name2-[[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methyl]pyrimidin-4-amine
SMILESNc1ccnc(CN2CCCC(c3ncc(C(F)(F)F)[nH]3)C2)n1
InChIInChI=1S/C14H17F3N6/c15-14(16,17)10-6-20-13(21-10)9-2-1-5-23(7-9)8-12-19-4-3-11(18)22-12/h3-4,6,9H,1-2,5,7-8H2,(H,20,21)(H2,18,19,22)
InChIKeySLPMLJUXDHJTHO-UHFFFAOYSA-N
XLogP2.18
TPSA83.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methyl]pyrimidin-4-amine?
The IUPAC name of 2-[[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methyl]pyrimidin-4-amine (CID 128995129) is 2-[[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methyl]pyrimidin-4-amine.
What is the SMILES notation for 2-[[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methyl]pyrimidin-4-amine?
The canonical SMILES for 2-[[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methyl]pyrimidin-4-amine is Nc1ccnc(CN2CCCC(c3ncc(C(F)(F)F)[nH]3)C2)n1.
What is the InChIKey of 2-[[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methyl]pyrimidin-4-amine?
The InChIKey is SLPMLJUXDHJTHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N6/c15-14(16,17)10-6-20-13(21-10)9-2-1-5-23(7-9)8-12-19-4-3-11(18)22-12/h3-4,6,9H,1-2,5,7-8H2,(H,20,21)(H2,18,19,22).
What are the key properties of 2-[[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methyl]pyrimidin-4-amine?
2-[[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methyl]pyrimidin-4-amine has a molecular weight of 326.33 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methyl]pyrimidin-4-amine is sourced from PubChem (CID 128995129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).