2-methyl-4-(4-pyridin-2-ylpiperazin-1-yl)-6-[3-(trifluoromethyl)phenyl]pyrimidine

C21H20F3N5 — CID 4288228

IUPAC2-methyl-4-(4-pyridin-2-ylpiperazin-1-yl)-6-[3-(trifluoromethyl)phenyl]pyrimidine
SMILESCc1nc(-c2cccc(C(F)(F)F)c2)cc(N2CCN(c3ccccn3)CC2)n1
InChIInChI=1S/C21H20F3N5/c1-15-26-18(16-5-4-6-17(13-16)21(22,23)24)14-20(27-15)29-11-9-28(10-12-29)19-7-2-3-8-25-19/h2-8,13-14H,9-12H2,1H3
InChIKeyIBMMXQIHSHRJNJ-UHFFFAOYSA-N
MW399.42 g/mol
LogP4.19
Rot. Bonds3

About 2-methyl-4-(4-pyridin-2-ylpiperazin-1-yl)-6-[3-(trifluoromethyl)phenyl]pyrimidine

2-methyl-4-(4-pyridin-2-ylpiperazin-1-yl)-6-[3-(trifluoromethyl)phenyl]pyrimidine (PubChem CID 4288228) has the molecular formula C21H20F3N5 and a molecular weight of 399.42 g/mol. Its IUPAC name is 2-methyl-4-(4-pyridin-2-ylpiperazin-1-yl)-6-[3-(trifluoromethyl)phenyl]pyrimidine.

Molecular Properties

Compound Name2-methyl-4-(4-pyridin-2-ylpiperazin-1-yl)-6-[3-(trifluoromethyl)phenyl]pyrimidine
PubChem CID4288228
Molecular FormulaC21H20F3N5
Molecular Weight399.42 g/mol
Exact Mass399.17
IUPAC Name2-methyl-4-(4-pyridin-2-ylpiperazin-1-yl)-6-[3-(trifluoromethyl)phenyl]pyrimidine
SMILESCc1nc(-c2cccc(C(F)(F)F)c2)cc(N2CCN(c3ccccn3)CC2)n1
InChIInChI=1S/C21H20F3N5/c1-15-26-18(16-5-4-6-17(13-16)21(22,23)24)14-20(27-15)29-11-9-28(10-12-29)19-7-2-3-8-25-19/h2-8,13-14H,9-12H2,1H3
InChIKeyIBMMXQIHSHRJNJ-UHFFFAOYSA-N
XLogP4.19
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.42
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-4-(4-methylpiperazin-1-yl)-6-[3-(trifluoromethyl)phenyl]pyrimidine
CID 3253525
1-pyridin-2-yl-4-[3-(trifluoromethyl)phenyl]piperazine
CID 110452554
4-(4-methylpiperazin-1-yl)-6-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 11267697
1-(4-pyridin-2-ylpiperazin-1-yl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]ethanone
CID 8681669
1-(2-methyl-6-phenylpyrimidin-4-yl)azepane
CID 16876766
2-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]pyridine
CID 10156114
2-methyl-N-phenyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112875519
N-benzyl-2-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112871532
4-(4-cyclopropylpiperazin-1-yl)-6-[3-(trifluoromethyl)phenyl]pyrimidine-2-carbonitrile
CID 58878071
2,4-dimethyl-6-[3-(trifluoromethyl)phenyl]pyridine
CID 119015408
1-(6-methyl-2-pyridinyl)-4-pyridin-2-ylpiperazine
CID 133313241
2-methyl-N-(2-methylphenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112875520

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(4-pyridin-2-ylpiperazin-1-yl)-6-[3-(trifluoromethyl)phenyl]pyrimidine?
The IUPAC name of 2-methyl-4-(4-pyridin-2-ylpiperazin-1-yl)-6-[3-(trifluoromethyl)phenyl]pyrimidine (CID 4288228) is 2-methyl-4-(4-pyridin-2-ylpiperazin-1-yl)-6-[3-(trifluoromethyl)phenyl]pyrimidine.
What is the SMILES notation for 2-methyl-4-(4-pyridin-2-ylpiperazin-1-yl)-6-[3-(trifluoromethyl)phenyl]pyrimidine?
The canonical SMILES for 2-methyl-4-(4-pyridin-2-ylpiperazin-1-yl)-6-[3-(trifluoromethyl)phenyl]pyrimidine is Cc1nc(-c2cccc(C(F)(F)F)c2)cc(N2CCN(c3ccccn3)CC2)n1.
What is the InChIKey of 2-methyl-4-(4-pyridin-2-ylpiperazin-1-yl)-6-[3-(trifluoromethyl)phenyl]pyrimidine?
The InChIKey is IBMMXQIHSHRJNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N5/c1-15-26-18(16-5-4-6-17(13-16)21(22,23)24)14-20(27-15)29-11-9-28(10-12-29)19-7-2-3-8-25-19/h2-8,13-14H,9-12H2,1H3.
What are the key properties of 2-methyl-4-(4-pyridin-2-ylpiperazin-1-yl)-6-[3-(trifluoromethyl)phenyl]pyrimidine?
2-methyl-4-(4-pyridin-2-ylpiperazin-1-yl)-6-[3-(trifluoromethyl)phenyl]pyrimidine has a molecular weight of 399.42 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(4-pyridin-2-ylpiperazin-1-yl)-6-[3-(trifluoromethyl)phenyl]pyrimidine is sourced from PubChem (CID 4288228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).