4-(3-ethyl-4-methylpiperazin-1-yl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine

C13H20F3N5 — CID 114565070

IUPAC4-(3-ethyl-4-methylpiperazin-1-yl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCCC1CN(c2cc(C(F)(F)F)nc(NC)n2)CCN1C
InChIInChI=1S/C13H20F3N5/c1-4-9-8-21(6-5-20(9)3)11-7-10(13(14,15)16)18-12(17-2)19-11/h7,9H,4-6,8H2,1-3H3,(H,17,18,19)
InChIKeyXSWCUGGERWSMQA-UHFFFAOYSA-N
MW303.33 g/mol
LogP2.07
Rot. Bonds3

About 4-(3-ethyl-4-methylpiperazin-1-yl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine

4-(3-ethyl-4-methylpiperazin-1-yl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 114565070) has the molecular formula C13H20F3N5 and a molecular weight of 303.33 g/mol. Its IUPAC name is 4-(3-ethyl-4-methylpiperazin-1-yl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(3-ethyl-4-methylpiperazin-1-yl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID114565070
Molecular FormulaC13H20F3N5
Molecular Weight303.33 g/mol
Exact Mass303.17
IUPAC Name4-(3-ethyl-4-methylpiperazin-1-yl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCCC1CN(c2cc(C(F)(F)F)nc(NC)n2)CCN1C
InChIInChI=1S/C13H20F3N5/c1-4-9-8-21(6-5-20(9)3)11-7-10(13(14,15)16)18-12(17-2)19-11/h7,9H,4-6,8H2,1-3H3,(H,17,18,19)
InChIKeyXSWCUGGERWSMQA-UHFFFAOYSA-N
XLogP2.07
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-ethyl-4-methylpiperazin-1-yl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 4-(3-ethyl-4-methylpiperazin-1-yl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine (CID 114565070) is 4-(3-ethyl-4-methylpiperazin-1-yl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(3-ethyl-4-methylpiperazin-1-yl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 4-(3-ethyl-4-methylpiperazin-1-yl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine is CCC1CN(c2cc(C(F)(F)F)nc(NC)n2)CCN1C.
What is the InChIKey of 4-(3-ethyl-4-methylpiperazin-1-yl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is XSWCUGGERWSMQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N5/c1-4-9-8-21(6-5-20(9)3)11-7-10(13(14,15)16)18-12(17-2)19-11/h7,9H,4-6,8H2,1-3H3,(H,17,18,19).
What are the key properties of 4-(3-ethyl-4-methylpiperazin-1-yl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine?
4-(3-ethyl-4-methylpiperazin-1-yl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 303.33 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethyl-4-methylpiperazin-1-yl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 114565070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).