1-[(3R)-3-(4-aminopyrimidin-2-yl)piperidin-1-yl]-3,3,3-trifluoropropan-1-one

C12H15F3N4O — CID 67260595

IUPAC1-[(3R)-3-(4-aminopyrimidin-2-yl)piperidin-1-yl]-3,3,3-trifluoropropan-1-one
SMILESNc1ccnc([C@@H]2CCCN(C(=O)CC(F)(F)F)C2)n1
InChIInChI=1S/C12H15F3N4O/c13-12(14,15)6-10(20)19-5-1-2-8(7-19)11-17-4-3-9(16)18-11/h3-4,8H,1-2,5-7H2,(H2,16,17,18)/t8-/m1/s1
InChIKeyJHNVUOKFSPYQTG-MRVPVSSYSA-N
MW288.27 g/mol
LogP1.72
Rot. Bonds2

About 1-[(3R)-3-(4-aminopyrimidin-2-yl)piperidin-1-yl]-3,3,3-trifluoropropan-1-one

1-[(3R)-3-(4-aminopyrimidin-2-yl)piperidin-1-yl]-3,3,3-trifluoropropan-1-one (PubChem CID 67260595) has the molecular formula C12H15F3N4O and a molecular weight of 288.27 g/mol. Its IUPAC name is 1-[(3R)-3-(4-aminopyrimidin-2-yl)piperidin-1-yl]-3,3,3-trifluoropropan-1-one.

Molecular Properties

Compound Name1-[(3R)-3-(4-aminopyrimidin-2-yl)piperidin-1-yl]-3,3,3-trifluoropropan-1-one
PubChem CID67260595
Molecular FormulaC12H15F3N4O
Molecular Weight288.27 g/mol
Exact Mass288.12
IUPAC Name1-[(3R)-3-(4-aminopyrimidin-2-yl)piperidin-1-yl]-3,3,3-trifluoropropan-1-one
SMILESNc1ccnc([C@@H]2CCCN(C(=O)CC(F)(F)F)C2)n1
InChIInChI=1S/C12H15F3N4O/c13-12(14,15)6-10(20)19-5-1-2-8(7-19)11-17-4-3-9(16)18-11/h3-4,8H,1-2,5-7H2,(H2,16,17,18)/t8-/m1/s1
InChIKeyJHNVUOKFSPYQTG-MRVPVSSYSA-N
XLogP1.72
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(3R)-3-(4-aminopyrimidin-2-yl)piperidin-1-yl]-3,3,3-trifluoropropan-1-one 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 1-[(3R)-3-(4-aminopyrimidin-2-yl)piperidin-1-yl]-3,3,3-trifluoropropan-1-one?
The IUPAC name of 1-[(3R)-3-(4-aminopyrimidin-2-yl)piperidin-1-yl]-3,3,3-trifluoropropan-1-one (CID 67260595) is 1-[(3R)-3-(4-aminopyrimidin-2-yl)piperidin-1-yl]-3,3,3-trifluoropropan-1-one.
What is the SMILES notation for 1-[(3R)-3-(4-aminopyrimidin-2-yl)piperidin-1-yl]-3,3,3-trifluoropropan-1-one?
The canonical SMILES for 1-[(3R)-3-(4-aminopyrimidin-2-yl)piperidin-1-yl]-3,3,3-trifluoropropan-1-one is Nc1ccnc([C@@H]2CCCN(C(=O)CC(F)(F)F)C2)n1.
What is the InChIKey of 1-[(3R)-3-(4-aminopyrimidin-2-yl)piperidin-1-yl]-3,3,3-trifluoropropan-1-one?
The InChIKey is JHNVUOKFSPYQTG-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H15F3N4O/c13-12(14,15)6-10(20)19-5-1-2-8(7-19)11-17-4-3-9(16)18-11/h3-4,8H,1-2,5-7H2,(H2,16,17,18)/t8-/m1/s1.
What are the key properties of 1-[(3R)-3-(4-aminopyrimidin-2-yl)piperidin-1-yl]-3,3,3-trifluoropropan-1-one?
1-[(3R)-3-(4-aminopyrimidin-2-yl)piperidin-1-yl]-3,3,3-trifluoropropan-1-one has a molecular weight of 288.27 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-(4-aminopyrimidin-2-yl)piperidin-1-yl]-3,3,3-trifluoropropan-1-one is sourced from PubChem (CID 67260595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).