4-(2,5-dimethylpyrazol-3-yl)-5-fluoro-2-(4-methylpiperazin-1-yl)pyrimidine

C14H19FN6 — CID 166859439

IUPAC4-(2,5-dimethylpyrazol-3-yl)-5-fluoro-2-(4-methylpiperazin-1-yl)pyrimidine
SMILESCc1cc(-c2nc(N3CCN(C)CC3)ncc2F)n(C)n1
InChIInChI=1S/C14H19FN6/c1-10-8-12(20(3)18-10)13-11(15)9-16-14(17-13)21-6-4-19(2)5-7-21/h8-9H,4-7H2,1-3H3
InChIKeyHLLBHMJLUKJRIM-UHFFFAOYSA-N
MW290.35 g/mol
LogP1.08
Rot. Bonds2

About 4-(2,5-dimethylpyrazol-3-yl)-5-fluoro-2-(4-methylpiperazin-1-yl)pyrimidine

4-(2,5-dimethylpyrazol-3-yl)-5-fluoro-2-(4-methylpiperazin-1-yl)pyrimidine (PubChem CID 166859439) has the molecular formula C14H19FN6 and a molecular weight of 290.35 g/mol. Its IUPAC name is 4-(2,5-dimethylpyrazol-3-yl)-5-fluoro-2-(4-methylpiperazin-1-yl)pyrimidine.

Molecular Properties

Compound Name4-(2,5-dimethylpyrazol-3-yl)-5-fluoro-2-(4-methylpiperazin-1-yl)pyrimidine
PubChem CID166859439
Molecular FormulaC14H19FN6
Molecular Weight290.35 g/mol
Exact Mass290.17
IUPAC Name4-(2,5-dimethylpyrazol-3-yl)-5-fluoro-2-(4-methylpiperazin-1-yl)pyrimidine
SMILESCc1cc(-c2nc(N3CCN(C)CC3)ncc2F)n(C)n1
InChIInChI=1S/C14H19FN6/c1-10-8-12(20(3)18-10)13-11(15)9-16-14(17-13)21-6-4-19(2)5-7-21/h8-9H,4-7H2,1-3H3
InChIKeyHLLBHMJLUKJRIM-UHFFFAOYSA-N
XLogP1.08
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-2-(4-methylpiperazin-1-yl)pyrimidine;dihydrochloride
CID 171333757
4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine
CID 15132532
4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine;dihydrochloride
CID 22152276
5-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)-4-pyridin-4-ylpyrimidine
CID 23000436
7-chloro-2-(4-methylpiperazin-1-yl)indeno[2,1-d]pyrimidin-9-one
CID 169095221
1-[5-fluoro-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-yl]-4-methylpiperidine-4-carbonyl chloride
CID 170782988
5-(4-fluoro-2-methylphenyl)-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxylic acid
CID 23512593
2-(4-methylpiperazin-1-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 59493796
N-(2-fluorophenyl)-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 46345531
1-methyl-4-(1-methyl-1,2,4-triazol-3-yl)piperazine
CID 156839759
4-(2,3-difluorophenyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine
CID 42669297
tert-butyl 4-[4-(3,5-dimethylpyrazol-1-yl)-5-fluoropyrimidin-2-yl]piperazine-1-carboxylate
CID 168824124

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylpyrazol-3-yl)-5-fluoro-2-(4-methylpiperazin-1-yl)pyrimidine?
The IUPAC name of 4-(2,5-dimethylpyrazol-3-yl)-5-fluoro-2-(4-methylpiperazin-1-yl)pyrimidine (CID 166859439) is 4-(2,5-dimethylpyrazol-3-yl)-5-fluoro-2-(4-methylpiperazin-1-yl)pyrimidine.
What is the SMILES notation for 4-(2,5-dimethylpyrazol-3-yl)-5-fluoro-2-(4-methylpiperazin-1-yl)pyrimidine?
The canonical SMILES for 4-(2,5-dimethylpyrazol-3-yl)-5-fluoro-2-(4-methylpiperazin-1-yl)pyrimidine is Cc1cc(-c2nc(N3CCN(C)CC3)ncc2F)n(C)n1.
What is the InChIKey of 4-(2,5-dimethylpyrazol-3-yl)-5-fluoro-2-(4-methylpiperazin-1-yl)pyrimidine?
The InChIKey is HLLBHMJLUKJRIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN6/c1-10-8-12(20(3)18-10)13-11(15)9-16-14(17-13)21-6-4-19(2)5-7-21/h8-9H,4-7H2,1-3H3.
What are the key properties of 4-(2,5-dimethylpyrazol-3-yl)-5-fluoro-2-(4-methylpiperazin-1-yl)pyrimidine?
4-(2,5-dimethylpyrazol-3-yl)-5-fluoro-2-(4-methylpiperazin-1-yl)pyrimidine has a molecular weight of 290.35 g/mol, XLogP of 1.08, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylpyrazol-3-yl)-5-fluoro-2-(4-methylpiperazin-1-yl)pyrimidine is sourced from PubChem (CID 166859439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).