5-fluoro-2,4-dimethyl-6-[4-[(2-methylpyrazol-3-yl)methyl]piperazin-1-yl]pyrimidine

C15H21FN6 — CID 138013502

IUPAC5-fluoro-2,4-dimethyl-6-[4-[(2-methylpyrazol-3-yl)methyl]piperazin-1-yl]pyrimidine
SMILESCc1nc(C)c(F)c(N2CCN(Cc3ccnn3C)CC2)n1
InChIInChI=1S/C15H21FN6/c1-11-14(16)15(19-12(2)18-11)22-8-6-21(7-9-22)10-13-4-5-17-20(13)3/h4-5H,6-10H2,1-3H3
InChIKeyNJSHOKRECFOPKC-UHFFFAOYSA-N
MW304.37 g/mol
LogP1.29
Rot. Bonds3

About 5-fluoro-2,4-dimethyl-6-[4-[(2-methylpyrazol-3-yl)methyl]piperazin-1-yl]pyrimidine

5-fluoro-2,4-dimethyl-6-[4-[(2-methylpyrazol-3-yl)methyl]piperazin-1-yl]pyrimidine (PubChem CID 138013502) has the molecular formula C15H21FN6 and a molecular weight of 304.37 g/mol. Its IUPAC name is 5-fluoro-2,4-dimethyl-6-[4-[(2-methylpyrazol-3-yl)methyl]piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name5-fluoro-2,4-dimethyl-6-[4-[(2-methylpyrazol-3-yl)methyl]piperazin-1-yl]pyrimidine
PubChem CID138013502
Molecular FormulaC15H21FN6
Molecular Weight304.37 g/mol
Exact Mass304.18
IUPAC Name5-fluoro-2,4-dimethyl-6-[4-[(2-methylpyrazol-3-yl)methyl]piperazin-1-yl]pyrimidine
SMILESCc1nc(C)c(F)c(N2CCN(Cc3ccnn3C)CC2)n1
InChIInChI=1S/C15H21FN6/c1-11-14(16)15(19-12(2)18-11)22-8-6-21(7-9-22)10-13-4-5-17-20(13)3/h4-5H,6-10H2,1-3H3
InChIKeyNJSHOKRECFOPKC-UHFFFAOYSA-N
XLogP1.29
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-fluoro-2,4-dimethyl-6-[4-[(2-methylpyrazol-3-yl)methyl]piperazin-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 5-fluoro-2,4-dimethyl-6-[4-[(2-methylpyrazol-3-yl)methyl]piperazin-1-yl]pyrimidine?
The IUPAC name of 5-fluoro-2,4-dimethyl-6-[4-[(2-methylpyrazol-3-yl)methyl]piperazin-1-yl]pyrimidine (CID 138013502) is 5-fluoro-2,4-dimethyl-6-[4-[(2-methylpyrazol-3-yl)methyl]piperazin-1-yl]pyrimidine.
What is the SMILES notation for 5-fluoro-2,4-dimethyl-6-[4-[(2-methylpyrazol-3-yl)methyl]piperazin-1-yl]pyrimidine?
The canonical SMILES for 5-fluoro-2,4-dimethyl-6-[4-[(2-methylpyrazol-3-yl)methyl]piperazin-1-yl]pyrimidine is Cc1nc(C)c(F)c(N2CCN(Cc3ccnn3C)CC2)n1.
What is the InChIKey of 5-fluoro-2,4-dimethyl-6-[4-[(2-methylpyrazol-3-yl)methyl]piperazin-1-yl]pyrimidine?
The InChIKey is NJSHOKRECFOPKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN6/c1-11-14(16)15(19-12(2)18-11)22-8-6-21(7-9-22)10-13-4-5-17-20(13)3/h4-5H,6-10H2,1-3H3.
What are the key properties of 5-fluoro-2,4-dimethyl-6-[4-[(2-methylpyrazol-3-yl)methyl]piperazin-1-yl]pyrimidine?
5-fluoro-2,4-dimethyl-6-[4-[(2-methylpyrazol-3-yl)methyl]piperazin-1-yl]pyrimidine has a molecular weight of 304.37 g/mol, XLogP of 1.29, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2,4-dimethyl-6-[4-[(2-methylpyrazol-3-yl)methyl]piperazin-1-yl]pyrimidine is sourced from PubChem (CID 138013502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).