2-(3-methylpiperazin-1-yl)-5-(trifluoromethyl)pyrimidine

C10H13F3N4 — CID 77442703

IUPAC2-(3-methylpiperazin-1-yl)-5-(trifluoromethyl)pyrimidine
SMILESCC1CN(c2ncc(C(F)(F)F)cn2)CCN1
InChIInChI=1S/C10H13F3N4/c1-7-6-17(3-2-14-7)9-15-4-8(5-16-9)10(11,12)13/h4-5,7,14H,2-3,6H2,1H3
InChIKeyFOVKWMXAEXTQNY-UHFFFAOYSA-N
MW246.24 g/mol
LogP1.29
Rot. Bonds1

About 2-(3-methylpiperazin-1-yl)-5-(trifluoromethyl)pyrimidine

2-(3-methylpiperazin-1-yl)-5-(trifluoromethyl)pyrimidine (PubChem CID 77442703) has the molecular formula C10H13F3N4 and a molecular weight of 246.24 g/mol. Its IUPAC name is 2-(3-methylpiperazin-1-yl)-5-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-(3-methylpiperazin-1-yl)-5-(trifluoromethyl)pyrimidine
PubChem CID77442703
Molecular FormulaC10H13F3N4
Molecular Weight246.24 g/mol
Exact Mass246.11
IUPAC Name2-(3-methylpiperazin-1-yl)-5-(trifluoromethyl)pyrimidine
SMILESCC1CN(c2ncc(C(F)(F)F)cn2)CCN1
InChIInChI=1S/C10H13F3N4/c1-7-6-17(3-2-14-7)9-15-4-8(5-16-9)10(11,12)13/h4-5,7,14H,2-3,6H2,1H3
InChIKeyFOVKWMXAEXTQNY-UHFFFAOYSA-N
XLogP1.29
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 ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpiperazin-1-yl)-5-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-(3-methylpiperazin-1-yl)-5-(trifluoromethyl)pyrimidine (CID 77442703) is 2-(3-methylpiperazin-1-yl)-5-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-(3-methylpiperazin-1-yl)-5-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-(3-methylpiperazin-1-yl)-5-(trifluoromethyl)pyrimidine is CC1CN(c2ncc(C(F)(F)F)cn2)CCN1.
What is the InChIKey of 2-(3-methylpiperazin-1-yl)-5-(trifluoromethyl)pyrimidine?
The InChIKey is FOVKWMXAEXTQNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4/c1-7-6-17(3-2-14-7)9-15-4-8(5-16-9)10(11,12)13/h4-5,7,14H,2-3,6H2,1H3.
What are the key properties of 2-(3-methylpiperazin-1-yl)-5-(trifluoromethyl)pyrimidine?
2-(3-methylpiperazin-1-yl)-5-(trifluoromethyl)pyrimidine has a molecular weight of 246.24 g/mol, XLogP of 1.29, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpiperazin-1-yl)-5-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 77442703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).