5-piperidin-4-yl-4-(trifluoromethyl)pyrimidin-2-amine

C10H13F3N4 — CID 69402573

IUPAC5-piperidin-4-yl-4-(trifluoromethyl)pyrimidin-2-amine
SMILESNc1ncc(C2CCNCC2)c(C(F)(F)F)n1
InChIInChI=1S/C10H13F3N4/c11-10(12,13)8-7(5-16-9(14)17-8)6-1-3-15-4-2-6/h5-6,15H,1-4H2,(H2,14,16,17)
InChIKeyYEDUZZBXRYLSQR-UHFFFAOYSA-N
MW246.24 g/mol
LogP1.54
Rot. Bonds1

About 5-piperidin-4-yl-4-(trifluoromethyl)pyrimidin-2-amine

5-piperidin-4-yl-4-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 69402573) has the molecular formula C10H13F3N4 and a molecular weight of 246.24 g/mol. Its IUPAC name is 5-piperidin-4-yl-4-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-piperidin-4-yl-4-(trifluoromethyl)pyrimidin-2-amine
PubChem CID69402573
Molecular FormulaC10H13F3N4
Molecular Weight246.24 g/mol
Exact Mass246.11
IUPAC Name5-piperidin-4-yl-4-(trifluoromethyl)pyrimidin-2-amine
SMILESNc1ncc(C2CCNCC2)c(C(F)(F)F)n1
InChIInChI=1S/C10H13F3N4/c11-10(12,13)8-7(5-16-9(14)17-8)6-1-3-15-4-2-6/h5-6,15H,1-4H2,(H2,14,16,17)
InChIKeyYEDUZZBXRYLSQR-UHFFFAOYSA-N
XLogP1.54
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-piperidin-4-yl-4-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 5-piperidin-4-yl-4-(trifluoromethyl)pyrimidin-2-amine (CID 69402573) is 5-piperidin-4-yl-4-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 5-piperidin-4-yl-4-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 5-piperidin-4-yl-4-(trifluoromethyl)pyrimidin-2-amine is Nc1ncc(C2CCNCC2)c(C(F)(F)F)n1.
What is the InChIKey of 5-piperidin-4-yl-4-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is YEDUZZBXRYLSQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4/c11-10(12,13)8-7(5-16-9(14)17-8)6-1-3-15-4-2-6/h5-6,15H,1-4H2,(H2,14,16,17).
What are the key properties of 5-piperidin-4-yl-4-(trifluoromethyl)pyrimidin-2-amine?
5-piperidin-4-yl-4-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 246.24 g/mol, XLogP of 1.54, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperidin-4-yl-4-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 69402573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).