4-(4-methylpiperazin-1-yl)-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidine

C15H16F3N5 — CID 1475713

IUPAC4-(4-methylpiperazin-1-yl)-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidine
SMILESCN1CCN(c2cc(C(F)(F)F)nc(-c3ccccn3)n2)CC1
InChIInChI=1S/C15H16F3N5/c1-22-6-8-23(9-7-22)13-10-12(15(16,17)18)20-14(21-13)11-4-2-3-5-19-11/h2-5,10H,6-9H2,1H3
InChIKeyWVSVFVJFBVZAKZ-UHFFFAOYSA-N
MW323.32 g/mol
LogP2.31
Rot. Bonds2

About 4-(4-methylpiperazin-1-yl)-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidine

4-(4-methylpiperazin-1-yl)-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidine (PubChem CID 1475713) has the molecular formula C15H16F3N5 and a molecular weight of 323.32 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidine
PubChem CID1475713
Molecular FormulaC15H16F3N5
Molecular Weight323.32 g/mol
Exact Mass323.14
IUPAC Name4-(4-methylpiperazin-1-yl)-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidine
SMILESCN1CCN(c2cc(C(F)(F)F)nc(-c3ccccn3)n2)CC1
InChIInChI=1S/C15H16F3N5/c1-22-6-8-23(9-7-22)13-10-12(15(16,17)18)20-14(21-13)11-4-2-3-5-19-11/h2-5,10H,6-9H2,1H3
InChIKeyWVSVFVJFBVZAKZ-UHFFFAOYSA-N
XLogP2.31
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.32
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazin-1-yl)-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-(4-methylpiperazin-1-yl)-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidine (CID 1475713) is 4-(4-methylpiperazin-1-yl)-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidine is CN1CCN(c2cc(C(F)(F)F)nc(-c3ccccn3)n2)CC1.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidine?
The InChIKey is WVSVFVJFBVZAKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N5/c1-22-6-8-23(9-7-22)13-10-12(15(16,17)18)20-14(21-13)11-4-2-3-5-19-11/h2-5,10H,6-9H2,1H3.
What are the key properties of 4-(4-methylpiperazin-1-yl)-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidine?
4-(4-methylpiperazin-1-yl)-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidine has a molecular weight of 323.32 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-1-yl)-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 1475713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).