2-methyl-4-piperazin-1-yl-6-(trifluoromethyl)pyrimidine

C10H13F3N4 — CID 4778294

IUPAC2-methyl-4-piperazin-1-yl-6-(trifluoromethyl)pyrimidine
SMILESCc1nc(N2CCNCC2)cc(C(F)(F)F)n1
InChIInChI=1S/C10H13F3N4/c1-7-15-8(10(11,12)13)6-9(16-7)17-4-2-14-3-5-17/h6,14H,2-5H2,1H3
InChIKeyKKOCPUHZKUYMRV-UHFFFAOYSA-N
MW246.24 g/mol
LogP1.21
Rot. Bonds1

About 2-methyl-4-piperazin-1-yl-6-(trifluoromethyl)pyrimidine

2-methyl-4-piperazin-1-yl-6-(trifluoromethyl)pyrimidine (PubChem CID 4778294) has the molecular formula C10H13F3N4 and a molecular weight of 246.24 g/mol. Its IUPAC name is 2-methyl-4-piperazin-1-yl-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-methyl-4-piperazin-1-yl-6-(trifluoromethyl)pyrimidine
PubChem CID4778294
Molecular FormulaC10H13F3N4
Molecular Weight246.24 g/mol
Exact Mass246.11
IUPAC Name2-methyl-4-piperazin-1-yl-6-(trifluoromethyl)pyrimidine
SMILESCc1nc(N2CCNCC2)cc(C(F)(F)F)n1
InChIInChI=1S/C10H13F3N4/c1-7-15-8(10(11,12)13)6-9(16-7)17-4-2-14-3-5-17/h6,14H,2-5H2,1H3
InChIKeyKKOCPUHZKUYMRV-UHFFFAOYSA-N
XLogP1.21
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-piperazin-1-yl-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-methyl-4-piperazin-1-yl-6-(trifluoromethyl)pyrimidine (CID 4778294) is 2-methyl-4-piperazin-1-yl-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-methyl-4-piperazin-1-yl-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-methyl-4-piperazin-1-yl-6-(trifluoromethyl)pyrimidine is Cc1nc(N2CCNCC2)cc(C(F)(F)F)n1.
What is the InChIKey of 2-methyl-4-piperazin-1-yl-6-(trifluoromethyl)pyrimidine?
The InChIKey is KKOCPUHZKUYMRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4/c1-7-15-8(10(11,12)13)6-9(16-7)17-4-2-14-3-5-17/h6,14H,2-5H2,1H3.
What are the key properties of 2-methyl-4-piperazin-1-yl-6-(trifluoromethyl)pyrimidine?
2-methyl-4-piperazin-1-yl-6-(trifluoromethyl)pyrimidine has a molecular weight of 246.24 g/mol, XLogP of 1.21, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-piperazin-1-yl-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 4778294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).