4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyrimidine

C20H23F3N8 — CID 155976481

IUPAC4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyrimidine
SMILESCc1cc(C)n(-c2cc(N3CCN(c4cc(C(F)(F)F)nc(C)n4)CC3)nc(C)n2)n1
InChIInChI=1S/C20H23F3N8/c1-12-9-13(2)31(28-12)19-11-18(26-15(4)27-19)30-7-5-29(6-8-30)17-10-16(20(21,22)23)24-14(3)25-17/h9-11H,5-8H2,1-4H3
InChIKeyDUFVLKZWQVGDJI-UHFFFAOYSA-N
MW432.45 g/mol
LogP3.03
Rot. Bonds3

About 4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyrimidine

4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyrimidine (PubChem CID 155976481) has the molecular formula C20H23F3N8 and a molecular weight of 432.45 g/mol. Its IUPAC name is 4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyrimidine
PubChem CID155976481
Molecular FormulaC20H23F3N8
Molecular Weight432.45 g/mol
Exact Mass432.20
IUPAC Name4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyrimidine
SMILESCc1cc(C)n(-c2cc(N3CCN(c4cc(C(F)(F)F)nc(C)n4)CC3)nc(C)n2)n1
InChIInChI=1S/C20H23F3N8/c1-12-9-13(2)31(28-12)19-11-18(26-15(4)27-19)30-7-5-29(6-8-30)17-10-16(20(21,22)23)24-14(3)25-17/h9-11H,5-8H2,1-4H3
InChIKeyDUFVLKZWQVGDJI-UHFFFAOYSA-N
XLogP3.03
TPSA75.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.45
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-2-methyl-6-(trifluoromethyl)pyrimidine
CID 155976417
4,6-bis(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidine
CID 102051125
2-methyl-4-piperazin-1-yl-6-(trifluoromethyl)pyrimidine;dihydrochloride
CID 166606228
4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine
CID 154853730
2,5-dimethyl-7-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyrazolo[1,5-a]pyrimidine
CID 154882870
4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-[4-[2-(triazol-2-yl)ethyl]piperazin-1-yl]pyrimidine
CID 171323834
4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrimidine
CID 154830060
4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-[4-(2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]pyrimidine
CID 165433739
4-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]sulfonyl-1,2-oxazole
CID 122338151
[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone
CID 122337944
[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 122338082
[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(2,3,4-trifluorophenyl)methanone
CID 122338036

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyrimidine?
The IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyrimidine (CID 155976481) is 4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyrimidine.
What is the SMILES notation for 4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyrimidine?
The canonical SMILES for 4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyrimidine is Cc1cc(C)n(-c2cc(N3CCN(c4cc(C(F)(F)F)nc(C)n4)CC3)nc(C)n2)n1.
What is the InChIKey of 4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyrimidine?
The InChIKey is DUFVLKZWQVGDJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N8/c1-12-9-13(2)31(28-12)19-11-18(26-15(4)27-19)30-7-5-29(6-8-30)17-10-16(20(21,22)23)24-14(3)25-17/h9-11H,5-8H2,1-4H3.
What are the key properties of 4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyrimidine?
4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyrimidine has a molecular weight of 432.45 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyrimidine is sourced from PubChem (CID 155976481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).