6-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine

C13H15F3N6 — CID 166260362

IUPAC6-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine
SMILESNc1cc(N2CCC(c3ncc(C(F)(F)F)[nH]3)CC2)ncn1
InChIInChI=1S/C13H15F3N6/c14-13(15,16)9-6-18-12(21-9)8-1-3-22(4-2-8)11-5-10(17)19-7-20-11/h5-8H,1-4H2,(H,18,21)(H2,17,19,20)
InChIKeyPGQQQXCICDYOAN-UHFFFAOYSA-N
MW312.30 g/mol
LogP2.18
Rot. Bonds2

About 6-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine

6-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine (PubChem CID 166260362) has the molecular formula C13H15F3N6 and a molecular weight of 312.30 g/mol. Its IUPAC name is 6-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine
PubChem CID166260362
Molecular FormulaC13H15F3N6
Molecular Weight312.30 g/mol
Exact Mass312.13
IUPAC Name6-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine
SMILESNc1cc(N2CCC(c3ncc(C(F)(F)F)[nH]3)CC2)ncn1
InChIInChI=1S/C13H15F3N6/c14-13(15,16)9-6-18-12(21-9)8-1-3-22(4-2-8)11-5-10(17)19-7-20-11/h5-8H,1-4H2,(H,18,21)(H2,17,19,20)
InChIKeyPGQQQXCICDYOAN-UHFFFAOYSA-N
XLogP2.18
TPSA83.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.30
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine?
The IUPAC name of 6-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine (CID 166260362) is 6-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for 6-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine?
The canonical SMILES for 6-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine is Nc1cc(N2CCC(c3ncc(C(F)(F)F)[nH]3)CC2)ncn1.
What is the InChIKey of 6-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine?
The InChIKey is PGQQQXCICDYOAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N6/c14-13(15,16)9-6-18-12(21-9)8-1-3-22(4-2-8)11-5-10(17)19-7-20-11/h5-8H,1-4H2,(H,18,21)(H2,17,19,20).
What are the key properties of 6-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine?
6-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine has a molecular weight of 312.30 g/mol, XLogP of 2.18, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 166260362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).