4-[5-(4-fluorophenyl)-3-pyridinyl]-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine

C21H22FN5 — CID 4625280

IUPAC4-[5-(4-fluorophenyl)-3-pyridinyl]-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine
SMILESCc1nc(-c2cncc(-c3ccc(F)cc3)c2)cc(N2CCN(C)CC2)n1
InChIInChI=1S/C21H22FN5/c1-15-24-20(12-21(25-15)27-9-7-26(2)8-10-27)18-11-17(13-23-14-18)16-3-5-19(22)6-4-16/h3-6,11-14H,7-10H2,1-2H3
InChIKeyYCVJJUFXWFAHCM-UHFFFAOYSA-N
MW363.44 g/mol
LogP3.40
Rot. Bonds3

About 4-[5-(4-fluorophenyl)-3-pyridinyl]-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine

4-[5-(4-fluorophenyl)-3-pyridinyl]-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine (PubChem CID 4625280) has the molecular formula C21H22FN5 and a molecular weight of 363.44 g/mol. Its IUPAC name is 4-[5-(4-fluorophenyl)-3-pyridinyl]-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine.

Molecular Properties

Compound Name4-[5-(4-fluorophenyl)-3-pyridinyl]-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine
PubChem CID4625280
Molecular FormulaC21H22FN5
Molecular Weight363.44 g/mol
Exact Mass363.19
IUPAC Name4-[5-(4-fluorophenyl)-3-pyridinyl]-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine
SMILESCc1nc(-c2cncc(-c3ccc(F)cc3)c2)cc(N2CCN(C)CC2)n1
InChIInChI=1S/C21H22FN5/c1-15-24-20(12-21(25-15)27-9-7-26(2)8-10-27)18-11-17(13-23-14-18)16-3-5-19(22)6-4-16/h3-6,11-14H,7-10H2,1-2H3
InChIKeyYCVJJUFXWFAHCM-UHFFFAOYSA-N
XLogP3.40
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[5-(4-fluorophenyl)-3-pyridinyl]-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine 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-[5-(4-fluorophenyl)-3-pyridinyl]-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine?
The IUPAC name of 4-[5-(4-fluorophenyl)-3-pyridinyl]-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine (CID 4625280) is 4-[5-(4-fluorophenyl)-3-pyridinyl]-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine.
What is the SMILES notation for 4-[5-(4-fluorophenyl)-3-pyridinyl]-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine?
The canonical SMILES for 4-[5-(4-fluorophenyl)-3-pyridinyl]-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine is Cc1nc(-c2cncc(-c3ccc(F)cc3)c2)cc(N2CCN(C)CC2)n1.
What is the InChIKey of 4-[5-(4-fluorophenyl)-3-pyridinyl]-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine?
The InChIKey is YCVJJUFXWFAHCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN5/c1-15-24-20(12-21(25-15)27-9-7-26(2)8-10-27)18-11-17(13-23-14-18)16-3-5-19(22)6-4-16/h3-6,11-14H,7-10H2,1-2H3.
What are the key properties of 4-[5-(4-fluorophenyl)-3-pyridinyl]-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine?
4-[5-(4-fluorophenyl)-3-pyridinyl]-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine has a molecular weight of 363.44 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-fluorophenyl)-3-pyridinyl]-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine is sourced from PubChem (CID 4625280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).