N-[1-(2-chlorophenyl)ethyl]-5-(4-fluorophenyl)-4-pyridin-4-ylpyrimidin-2-amine

C23H18ClFN4 — CID 23000374

IUPACN-[1-(2-chlorophenyl)ethyl]-5-(4-fluorophenyl)-4-pyridin-4-ylpyrimidin-2-amine
SMILESCC(Nc1ncc(-c2ccc(F)cc2)c(-c2ccncc2)n1)c1ccccc1Cl
InChIInChI=1S/C23H18ClFN4/c1-15(19-4-2-3-5-21(19)24)28-23-27-14-20(16-6-8-18(25)9-7-16)22(29-23)17-10-12-26-13-11-17/h2-15H,1H3,(H,27,28,29)
InChIKeyNVLUQQJXFLKIAK-UHFFFAOYSA-N
MW404.88 g/mol
LogP6.17
Rot. Bonds5

About N-[1-(2-chlorophenyl)ethyl]-5-(4-fluorophenyl)-4-pyridin-4-ylpyrimidin-2-amine

N-[1-(2-chlorophenyl)ethyl]-5-(4-fluorophenyl)-4-pyridin-4-ylpyrimidin-2-amine (PubChem CID 23000374) has the molecular formula C23H18ClFN4 and a molecular weight of 404.88 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)ethyl]-5-(4-fluorophenyl)-4-pyridin-4-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)ethyl]-5-(4-fluorophenyl)-4-pyridin-4-ylpyrimidin-2-amine
PubChem CID23000374
Molecular FormulaC23H18ClFN4
Molecular Weight404.88 g/mol
Exact Mass404.12
IUPAC NameN-[1-(2-chlorophenyl)ethyl]-5-(4-fluorophenyl)-4-pyridin-4-ylpyrimidin-2-amine
SMILESCC(Nc1ncc(-c2ccc(F)cc2)c(-c2ccncc2)n1)c1ccccc1Cl
InChIInChI=1S/C23H18ClFN4/c1-15(19-4-2-3-5-21(19)24)28-23-27-14-20(16-6-8-18(25)9-7-16)22(29-23)17-10-12-26-13-11-17/h2-15H,1H3,(H,27,28,29)
InChIKeyNVLUQQJXFLKIAK-UHFFFAOYSA-N
XLogP6.17
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.88
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(2-chlorophenyl)ethyl]-5-(4-fluorophenyl)-4-pyridin-4-ylpyrimidin-2-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-[1-(2-chlorophenyl)ethyl]-5-(4-fluorophenyl)-4-pyridin-4-ylpyrimidin-2-amine?
The IUPAC name of N-[1-(2-chlorophenyl)ethyl]-5-(4-fluorophenyl)-4-pyridin-4-ylpyrimidin-2-amine (CID 23000374) is N-[1-(2-chlorophenyl)ethyl]-5-(4-fluorophenyl)-4-pyridin-4-ylpyrimidin-2-amine.
What is the SMILES notation for N-[1-(2-chlorophenyl)ethyl]-5-(4-fluorophenyl)-4-pyridin-4-ylpyrimidin-2-amine?
The canonical SMILES for N-[1-(2-chlorophenyl)ethyl]-5-(4-fluorophenyl)-4-pyridin-4-ylpyrimidin-2-amine is CC(Nc1ncc(-c2ccc(F)cc2)c(-c2ccncc2)n1)c1ccccc1Cl.
What is the InChIKey of N-[1-(2-chlorophenyl)ethyl]-5-(4-fluorophenyl)-4-pyridin-4-ylpyrimidin-2-amine?
The InChIKey is NVLUQQJXFLKIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClFN4/c1-15(19-4-2-3-5-21(19)24)28-23-27-14-20(16-6-8-18(25)9-7-16)22(29-23)17-10-12-26-13-11-17/h2-15H,1H3,(H,27,28,29).
What are the key properties of N-[1-(2-chlorophenyl)ethyl]-5-(4-fluorophenyl)-4-pyridin-4-ylpyrimidin-2-amine?
N-[1-(2-chlorophenyl)ethyl]-5-(4-fluorophenyl)-4-pyridin-4-ylpyrimidin-2-amine has a molecular weight of 404.88 g/mol, XLogP of 6.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)ethyl]-5-(4-fluorophenyl)-4-pyridin-4-ylpyrimidin-2-amine is sourced from PubChem (CID 23000374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).