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

C19H21F3N8 — CID 155976417

IUPAC4-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-2-methyl-6-(trifluoromethyl)pyrimidine
SMILESCc1cc(C)n(-c2cc(N3CCN(c4cc(C(F)(F)F)nc(C)n4)CC3)ncn2)n1
InChIInChI=1S/C19H21F3N8/c1-12-8-13(2)30(27-12)17-10-16(23-11-24-17)28-4-6-29(7-5-28)18-9-15(19(20,21)22)25-14(3)26-18/h8-11H,4-7H2,1-3H3
InChIKeyRKFGYTJLBKYBTN-UHFFFAOYSA-N
MW418.43 g/mol
LogP2.72
Rot. Bonds3

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

4-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-2-methyl-6-(trifluoromethyl)pyrimidine (PubChem CID 155976417) has the molecular formula C19H21F3N8 and a molecular weight of 418.43 g/mol. Its IUPAC name is 4-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-2-methyl-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-2-methyl-6-(trifluoromethyl)pyrimidine
PubChem CID155976417
Molecular FormulaC19H21F3N8
Molecular Weight418.43 g/mol
Exact Mass418.18
IUPAC Name4-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-2-methyl-6-(trifluoromethyl)pyrimidine
SMILESCc1cc(C)n(-c2cc(N3CCN(c4cc(C(F)(F)F)nc(C)n4)CC3)ncn2)n1
InChIInChI=1S/C19H21F3N8/c1-12-8-13(2)30(27-12)17-10-16(23-11-24-17)28-4-6-29(7-5-28)18-9-15(19(20,21)22)25-14(3)26-18/h8-11H,4-7H2,1-3H3
InChIKeyRKFGYTJLBKYBTN-UHFFFAOYSA-N
XLogP2.72
TPSA75.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.43
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyrimidine
CID 155976481
4-(3,5-dimethylpyrazol-1-yl)-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine
CID 155974055
4-(3,5-dimethylpyrazol-1-yl)-6-(4-methylpiperidin-1-yl)pyrimidine
CID 155974136
2-methyl-4-pyrazol-1-yl-6-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyrimidine
CID 154883096
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
4,6-bis(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidine
CID 102051125
4-(3,5-dimethylpyrazol-1-yl)-6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]pyrimidine
CID 121072478
4-(4-benzylpiperazin-1-yl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidine
CID 146074650
4-(3,5-dimethylpyrazol-1-yl)-6-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]pyrimidine
CID 50946302
2-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
CID 165433794

Frequently Asked Questions

What is the IUPAC name of 4-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-2-methyl-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-2-methyl-6-(trifluoromethyl)pyrimidine (CID 155976417) is 4-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-2-methyl-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-2-methyl-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-2-methyl-6-(trifluoromethyl)pyrimidine is Cc1cc(C)n(-c2cc(N3CCN(c4cc(C(F)(F)F)nc(C)n4)CC3)ncn2)n1.
What is the InChIKey of 4-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-2-methyl-6-(trifluoromethyl)pyrimidine?
The InChIKey is RKFGYTJLBKYBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N8/c1-12-8-13(2)30(27-12)17-10-16(23-11-24-17)28-4-6-29(7-5-28)18-9-15(19(20,21)22)25-14(3)26-18/h8-11H,4-7H2,1-3H3.
What are the key properties of 4-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-2-methyl-6-(trifluoromethyl)pyrimidine?
4-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-2-methyl-6-(trifluoromethyl)pyrimidine has a molecular weight of 418.43 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-2-methyl-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 155976417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).