5-piperidin-4-yl-6-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine

C11H16F3N5 — CID 68717548

IUPAC5-piperidin-4-yl-6-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine
SMILESNc1nc(N)c(C2CCNCC2)c(CC(F)(F)F)n1
InChIInChI=1S/C11H16F3N5/c12-11(13,14)5-7-8(6-1-3-17-4-2-6)9(15)19-10(16)18-7/h6,17H,1-5H2,(H4,15,16,18,19)
InChIKeyVSUFBLLBXLOCES-UHFFFAOYSA-N
MW275.28 g/mol
LogP1.21
Rot. Bonds2

About 5-piperidin-4-yl-6-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine

5-piperidin-4-yl-6-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine (PubChem CID 68717548) has the molecular formula C11H16F3N5 and a molecular weight of 275.28 g/mol. Its IUPAC name is 5-piperidin-4-yl-6-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-piperidin-4-yl-6-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine
PubChem CID68717548
Molecular FormulaC11H16F3N5
Molecular Weight275.28 g/mol
Exact Mass275.14
IUPAC Name5-piperidin-4-yl-6-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine
SMILESNc1nc(N)c(C2CCNCC2)c(CC(F)(F)F)n1
InChIInChI=1S/C11H16F3N5/c12-11(13,14)5-7-8(6-1-3-17-4-2-6)9(15)19-10(16)18-7/h6,17H,1-5H2,(H4,15,16,18,19)
InChIKeyVSUFBLLBXLOCES-UHFFFAOYSA-N
XLogP1.21
TPSA89.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-piperidin-4-yl-6-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-piperidin-4-yl-6-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine (CID 68717548) is 5-piperidin-4-yl-6-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-piperidin-4-yl-6-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-piperidin-4-yl-6-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine is Nc1nc(N)c(C2CCNCC2)c(CC(F)(F)F)n1.
What is the InChIKey of 5-piperidin-4-yl-6-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine?
The InChIKey is VSUFBLLBXLOCES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N5/c12-11(13,14)5-7-8(6-1-3-17-4-2-6)9(15)19-10(16)18-7/h6,17H,1-5H2,(H4,15,16,18,19).
What are the key properties of 5-piperidin-4-yl-6-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine?
5-piperidin-4-yl-6-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine has a molecular weight of 275.28 g/mol, XLogP of 1.21, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperidin-4-yl-6-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 68717548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).