N-[3-chloro-4-(2,4-difluorophenyl)phenyl]-1-pyrimidin-2-ylpiperidin-4-amine

C21H19ClF2N4 — CID 24937476

IUPACN-[3-chloro-4-(2,4-difluorophenyl)phenyl]-1-pyrimidin-2-ylpiperidin-4-amine
SMILESFc1ccc(-c2ccc(NC3CCN(c4ncccn4)CC3)cc2Cl)c(F)c1
InChIInChI=1S/C21H19ClF2N4/c22-19-13-16(3-5-17(19)18-4-2-14(23)12-20(18)24)27-15-6-10-28(11-7-15)21-25-8-1-9-26-21/h1-5,8-9,12-13,15,27H,6-7,10-11H2
InChIKeyUXGWCEARHMHGOL-UHFFFAOYSA-N
MW400.86 g/mol
LogP5.16
Rot. Bonds4

About N-[3-chloro-4-(2,4-difluorophenyl)phenyl]-1-pyrimidin-2-ylpiperidin-4-amine

N-[3-chloro-4-(2,4-difluorophenyl)phenyl]-1-pyrimidin-2-ylpiperidin-4-amine (PubChem CID 24937476) has the molecular formula C21H19ClF2N4 and a molecular weight of 400.86 g/mol. Its IUPAC name is N-[3-chloro-4-(2,4-difluorophenyl)phenyl]-1-pyrimidin-2-ylpiperidin-4-amine.

Molecular Properties

Compound NameN-[3-chloro-4-(2,4-difluorophenyl)phenyl]-1-pyrimidin-2-ylpiperidin-4-amine
PubChem CID24937476
Molecular FormulaC21H19ClF2N4
Molecular Weight400.86 g/mol
Exact Mass400.13
IUPAC NameN-[3-chloro-4-(2,4-difluorophenyl)phenyl]-1-pyrimidin-2-ylpiperidin-4-amine
SMILESFc1ccc(-c2ccc(NC3CCN(c4ncccn4)CC3)cc2Cl)c(F)c1
InChIInChI=1S/C21H19ClF2N4/c22-19-13-16(3-5-17(19)18-4-2-14(23)12-20(18)24)27-15-6-10-28(11-7-15)21-25-8-1-9-26-21/h1-5,8-9,12-13,15,27H,6-7,10-11H2
InChIKeyUXGWCEARHMHGOL-UHFFFAOYSA-N
XLogP5.16
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.86
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[3-chloro-4-(2,4-difluorophenyl)phenyl]-1-pyrimidin-2-ylpiperidin-4-amine 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 N-[3-chloro-4-(2,4-difluorophenyl)phenyl]-1-pyrimidin-2-ylpiperidin-4-amine?
The IUPAC name of N-[3-chloro-4-(2,4-difluorophenyl)phenyl]-1-pyrimidin-2-ylpiperidin-4-amine (CID 24937476) is N-[3-chloro-4-(2,4-difluorophenyl)phenyl]-1-pyrimidin-2-ylpiperidin-4-amine.
What is the SMILES notation for N-[3-chloro-4-(2,4-difluorophenyl)phenyl]-1-pyrimidin-2-ylpiperidin-4-amine?
The canonical SMILES for N-[3-chloro-4-(2,4-difluorophenyl)phenyl]-1-pyrimidin-2-ylpiperidin-4-amine is Fc1ccc(-c2ccc(NC3CCN(c4ncccn4)CC3)cc2Cl)c(F)c1.
What is the InChIKey of N-[3-chloro-4-(2,4-difluorophenyl)phenyl]-1-pyrimidin-2-ylpiperidin-4-amine?
The InChIKey is UXGWCEARHMHGOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClF2N4/c22-19-13-16(3-5-17(19)18-4-2-14(23)12-20(18)24)27-15-6-10-28(11-7-15)21-25-8-1-9-26-21/h1-5,8-9,12-13,15,27H,6-7,10-11H2.
What are the key properties of N-[3-chloro-4-(2,4-difluorophenyl)phenyl]-1-pyrimidin-2-ylpiperidin-4-amine?
N-[3-chloro-4-(2,4-difluorophenyl)phenyl]-1-pyrimidin-2-ylpiperidin-4-amine has a molecular weight of 400.86 g/mol, XLogP of 5.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(2,4-difluorophenyl)phenyl]-1-pyrimidin-2-ylpiperidin-4-amine is sourced from PubChem (CID 24937476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).