4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)pyrimidine

C10H13F3N4 — CID 59007235

IUPAC4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)pyrimidine
SMILESCN1CCN(c2ccnc(C(F)(F)F)n2)CC1
InChIInChI=1S/C10H13F3N4/c1-16-4-6-17(7-5-16)8-2-3-14-9(15-8)10(11,12)13/h2-3H,4-7H2,1H3
InChIKeyUYBSGAMWKQXDPP-UHFFFAOYSA-N
MW246.24 g/mol
LogP1.25
Rot. Bonds1

About 4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)pyrimidine

4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)pyrimidine (PubChem CID 59007235) has the molecular formula C10H13F3N4 and a molecular weight of 246.24 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)pyrimidine
PubChem CID59007235
Molecular FormulaC10H13F3N4
Molecular Weight246.24 g/mol
Exact Mass246.11
IUPAC Name4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)pyrimidine
SMILESCN1CCN(c2ccnc(C(F)(F)F)n2)CC1
InChIInChI=1S/C10H13F3N4/c1-16-4-6-17(7-5-16)8-2-3-14-9(15-8)10(11,12)13/h2-3H,4-7H2,1H3
InChIKeyUYBSGAMWKQXDPP-UHFFFAOYSA-N
XLogP1.25
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)pyrimidine (CID 59007235) is 4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)pyrimidine is CN1CCN(c2ccnc(C(F)(F)F)n2)CC1.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)pyrimidine?
The InChIKey is UYBSGAMWKQXDPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4/c1-16-4-6-17(7-5-16)8-2-3-14-9(15-8)10(11,12)13/h2-3H,4-7H2,1H3.
What are the key properties of 4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)pyrimidine?
4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)pyrimidine has a molecular weight of 246.24 g/mol, XLogP of 1.25, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 59007235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).