2-(3,5-dimethylpyrazol-1-yl)-4-methyl-6-(4-phenylpiperazin-1-yl)pyrimidine

C20H24N6 — CID 657574

IUPAC2-(3,5-dimethylpyrazol-1-yl)-4-methyl-6-(4-phenylpiperazin-1-yl)pyrimidine
SMILESCc1cc(N2CCN(c3ccccc3)CC2)nc(-n2nc(C)cc2C)n1
InChIInChI=1S/C20H24N6/c1-15-14-19(22-20(21-15)26-17(3)13-16(2)23-26)25-11-9-24(10-12-25)18-7-5-4-6-8-18/h4-8,13-14H,9-12H2,1-3H3
InChIKeyFBQWJGAANBICJK-UHFFFAOYSA-N
MW348.45 g/mol
LogP2.91
Rot. Bonds3

About 2-(3,5-dimethylpyrazol-1-yl)-4-methyl-6-(4-phenylpiperazin-1-yl)pyrimidine

2-(3,5-dimethylpyrazol-1-yl)-4-methyl-6-(4-phenylpiperazin-1-yl)pyrimidine (PubChem CID 657574) has the molecular formula C20H24N6 and a molecular weight of 348.45 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-4-methyl-6-(4-phenylpiperazin-1-yl)pyrimidine.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-4-methyl-6-(4-phenylpiperazin-1-yl)pyrimidine
PubChem CID657574
Molecular FormulaC20H24N6
Molecular Weight348.45 g/mol
Exact Mass348.21
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-4-methyl-6-(4-phenylpiperazin-1-yl)pyrimidine
SMILESCc1cc(N2CCN(c3ccccc3)CC2)nc(-n2nc(C)cc2C)n1
InChIInChI=1S/C20H24N6/c1-15-14-19(22-20(21-15)26-17(3)13-16(2)23-26)25-11-9-24(10-12-25)18-7-5-4-6-8-18/h4-8,13-14H,9-12H2,1-3H3
InChIKeyFBQWJGAANBICJK-UHFFFAOYSA-N
XLogP2.91
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Enmd-2076
CID 16041424
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[6-(dimethylamino)pyridin-2-yl]pyrimidin-4-yl]acetamide
CID 25138086
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[6-(pyrrolidin-1-yl)pyridin-2-yl]pyrimidin-4-yl]acetamide
CID 25138087
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[6-(piperidin-1-yl)pyridin-2-yl]pyrimidin-4-yl]acetamide
CID 25138088
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[6-(4-methylpiperazin-1-yl)pyridin-2-yl]pyrimidin-4-yl]acetamide
CID 25138090
2-[4-(4-Fluorophenyl)piperazin-1-yl]-4,6-dimethylpyrimidine
CID 3165129
7-[4-(4-Fluorophenyl)piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 1966878
Pyrazolo[1,5-a]-1,3,5-triazine, 13-4
CID 42618210
Pyrazolo[1,5-a]-1,3,5-triazine, 13-5
CID 42618211
Pyrazolo[1,5-a]-1,3,5-triazine, 13-6
CID 42618212
Pyrazolo[1,5-a]-1,3,5-triazine, 13-7
CID 42618213
5,7-Dimethyl-2-[2-(6-pyrrolidin-1-yl-pyridin-2-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 72706805

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-4-methyl-6-(4-phenylpiperazin-1-yl)pyrimidine?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-4-methyl-6-(4-phenylpiperazin-1-yl)pyrimidine (CID 657574) is 2-(3,5-dimethylpyrazol-1-yl)-4-methyl-6-(4-phenylpiperazin-1-yl)pyrimidine.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-4-methyl-6-(4-phenylpiperazin-1-yl)pyrimidine?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-4-methyl-6-(4-phenylpiperazin-1-yl)pyrimidine is Cc1cc(N2CCN(c3ccccc3)CC2)nc(-n2nc(C)cc2C)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-4-methyl-6-(4-phenylpiperazin-1-yl)pyrimidine?
The InChIKey is FBQWJGAANBICJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6/c1-15-14-19(22-20(21-15)26-17(3)13-16(2)23-26)25-11-9-24(10-12-25)18-7-5-4-6-8-18/h4-8,13-14H,9-12H2,1-3H3.
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-4-methyl-6-(4-phenylpiperazin-1-yl)pyrimidine?
2-(3,5-dimethylpyrazol-1-yl)-4-methyl-6-(4-phenylpiperazin-1-yl)pyrimidine has a molecular weight of 348.45 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-4-methyl-6-(4-phenylpiperazin-1-yl)pyrimidine is sourced from PubChem (CID 657574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).