4-[1-(4-fluorophenyl)pyrazol-4-yl]-N-(3-pyridin-2-ylpropyl)pyrimidin-2-amine

C21H19FN6 — CID 31224515

IUPAC4-[1-(4-fluorophenyl)pyrazol-4-yl]-N-(3-pyridin-2-ylpropyl)pyrimidin-2-amine
SMILESFc1ccc(-n2cc(-c3ccnc(NCCCc4ccccn4)n3)cn2)cc1
InChIInChI=1S/C21H19FN6/c22-17-6-8-19(9-7-17)28-15-16(14-26-28)20-10-13-25-21(27-20)24-12-3-5-18-4-1-2-11-23-18/h1-2,4,6-11,13-15H,3,5,12H2,(H,24,25,27)
InChIKeyRRJLCKHFTOSAFB-UHFFFAOYSA-N
MW374.42 g/mol
LogP3.91
Rot. Bonds7

About 4-[1-(4-fluorophenyl)pyrazol-4-yl]-N-(3-pyridin-2-ylpropyl)pyrimidin-2-amine

4-[1-(4-fluorophenyl)pyrazol-4-yl]-N-(3-pyridin-2-ylpropyl)pyrimidin-2-amine (PubChem CID 31224515) has the molecular formula C21H19FN6 and a molecular weight of 374.42 g/mol. Its IUPAC name is 4-[1-(4-fluorophenyl)pyrazol-4-yl]-N-(3-pyridin-2-ylpropyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-[1-(4-fluorophenyl)pyrazol-4-yl]-N-(3-pyridin-2-ylpropyl)pyrimidin-2-amine
PubChem CID31224515
Molecular FormulaC21H19FN6
Molecular Weight374.42 g/mol
Exact Mass374.17
IUPAC Name4-[1-(4-fluorophenyl)pyrazol-4-yl]-N-(3-pyridin-2-ylpropyl)pyrimidin-2-amine
SMILESFc1ccc(-n2cc(-c3ccnc(NCCCc4ccccn4)n3)cn2)cc1
InChIInChI=1S/C21H19FN6/c22-17-6-8-19(9-7-17)28-15-16(14-26-28)20-10-13-25-21(27-20)24-12-3-5-18-4-1-2-11-23-18/h1-2,4,6-11,13-15H,3,5,12H2,(H,24,25,27)
InChIKeyRRJLCKHFTOSAFB-UHFFFAOYSA-N
XLogP3.91
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[1-(4-fluorophenyl)pyrazol-4-yl]-N-(3-pyridin-2-ylpropyl)pyrimidin-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

Related Compounds

4-[1-(4-fluorophenyl)pyrazol-4-yl]-N-[(5-methylfuran-2-yl)methyl]pyrimidin-2-amine
CID 46987286
4-[1-(4-fluorophenyl)pyrazol-4-yl]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]pyrimidin-2-amine
CID 46994573
4-[1-(4-fluorophenyl)pyrazol-4-yl]-N-[(1S)-1-(2-methylpyrazol-3-yl)propyl]pyrimidin-2-amine
CID 31161035
4-[1-(2-fluorophenyl)pyrazol-4-yl]-N-(pyridin-4-ylmethyl)pyrimidin-2-amine
CID 31105252
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-4-(1-phenylpyrazol-4-yl)pyrimidin-2-amine
CID 46996131
4-(1-phenylpyrazol-4-yl)-2-pyridin-2-ylpyrimidine
CID 67958989
4-[1-(3-methoxyphenyl)pyrazol-4-yl]-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine
CID 129071969
4-[1-(2-fluorophenyl)pyrazol-4-yl]-N-(imidazo[1,2-a]pyridin-3-ylmethyl)pyrimidin-2-amine
CID 46992819
4-(1-phenylpyrazol-4-yl)-N-(1-pyridin-4-ylpropan-2-yl)pyrimidin-2-amine
CID 46992450
4-[1-(4-methoxyphenyl)pyrazol-4-yl]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]pyrimidin-2-amine
CID 46982218
2-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine
CID 115978124
4-(1-methylpyrazol-4-yl)-N-(3-piperidin-1-ylpropyl)pyrimidin-2-amine
CID 129086023

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-fluorophenyl)pyrazol-4-yl]-N-(3-pyridin-2-ylpropyl)pyrimidin-2-amine?
The IUPAC name of 4-[1-(4-fluorophenyl)pyrazol-4-yl]-N-(3-pyridin-2-ylpropyl)pyrimidin-2-amine (CID 31224515) is 4-[1-(4-fluorophenyl)pyrazol-4-yl]-N-(3-pyridin-2-ylpropyl)pyrimidin-2-amine.
What is the SMILES notation for 4-[1-(4-fluorophenyl)pyrazol-4-yl]-N-(3-pyridin-2-ylpropyl)pyrimidin-2-amine?
The canonical SMILES for 4-[1-(4-fluorophenyl)pyrazol-4-yl]-N-(3-pyridin-2-ylpropyl)pyrimidin-2-amine is Fc1ccc(-n2cc(-c3ccnc(NCCCc4ccccn4)n3)cn2)cc1.
What is the InChIKey of 4-[1-(4-fluorophenyl)pyrazol-4-yl]-N-(3-pyridin-2-ylpropyl)pyrimidin-2-amine?
The InChIKey is RRJLCKHFTOSAFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN6/c22-17-6-8-19(9-7-17)28-15-16(14-26-28)20-10-13-25-21(27-20)24-12-3-5-18-4-1-2-11-23-18/h1-2,4,6-11,13-15H,3,5,12H2,(H,24,25,27).
What are the key properties of 4-[1-(4-fluorophenyl)pyrazol-4-yl]-N-(3-pyridin-2-ylpropyl)pyrimidin-2-amine?
4-[1-(4-fluorophenyl)pyrazol-4-yl]-N-(3-pyridin-2-ylpropyl)pyrimidin-2-amine has a molecular weight of 374.42 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-fluorophenyl)pyrazol-4-yl]-N-(3-pyridin-2-ylpropyl)pyrimidin-2-amine is sourced from PubChem (CID 31224515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).