4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-pyrimidine-2,4-diamine

C11H18F3N5 — CID 142779629

IUPAC4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-pyrimidine-2,4-diamine
SMILESNC1=NC(N)(C2CCN(CC(F)(F)F)CC2)C=CN1
InChIInChI=1S/C11H18F3N5/c12-11(13,14)7-19-5-1-8(2-6-19)10(16)3-4-17-9(15)18-10/h3-4,8H,1-2,5-7,16H2,(H3,15,17,18)
InChIKeyUALZYJXICKDLFY-UHFFFAOYSA-N
MW277.29 g/mol
LogP0.35
Rot. Bonds2

About 4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-pyrimidine-2,4-diamine

4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-pyrimidine-2,4-diamine (PubChem CID 142779629) has the molecular formula C11H18F3N5 and a molecular weight of 277.29 g/mol. Its IUPAC name is 4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-pyrimidine-2,4-diamine
PubChem CID142779629
Molecular FormulaC11H18F3N5
Molecular Weight277.29 g/mol
Exact Mass277.15
IUPAC Name4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-pyrimidine-2,4-diamine
SMILESNC1=NC(N)(C2CCN(CC(F)(F)F)CC2)C=CN1
InChIInChI=1S/C11H18F3N5/c12-11(13,14)7-19-5-1-8(2-6-19)10(16)3-4-17-9(15)18-10/h3-4,8H,1-2,5-7,16H2,(H3,15,17,18)
InChIKeyUALZYJXICKDLFY-UHFFFAOYSA-N
XLogP0.35
TPSA79.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-pyrimidine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-pyrimidine-2,4-diamine?
The IUPAC name of 4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-pyrimidine-2,4-diamine (CID 142779629) is 4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-pyrimidine-2,4-diamine.
What is the SMILES notation for 4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-pyrimidine-2,4-diamine?
The canonical SMILES for 4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-pyrimidine-2,4-diamine is NC1=NC(N)(C2CCN(CC(F)(F)F)CC2)C=CN1.
What is the InChIKey of 4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-pyrimidine-2,4-diamine?
The InChIKey is UALZYJXICKDLFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N5/c12-11(13,14)7-19-5-1-8(2-6-19)10(16)3-4-17-9(15)18-10/h3-4,8H,1-2,5-7,16H2,(H3,15,17,18).
What are the key properties of 4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-pyrimidine-2,4-diamine?
4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-pyrimidine-2,4-diamine has a molecular weight of 277.29 g/mol, XLogP of 0.35, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-pyrimidine-2,4-diamine is sourced from PubChem (CID 142779629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).