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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Related Compounds

2-(Piperazin-1-yl)-4-(trifluoromethyl)pyrimidine
CID 2778334
2,4-Dimethyl-6-(piperazin-1-yl)pyrimidine
CID 4778269
3-(4-(4-(2-Tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)butyl)-1,1-diethylurea
CID 44409731
4-Methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 3228743
1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)butyl)-4-methylpyrimidin-2(1H)-one
CID 10253333
4-methyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 24994945
4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 53378928
n4-Isopropyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine
CID 54585780
1-(4,6-Dimethyl-2-pyrimidyl)piperazine
CID 2758651
1-Tert-butyl-3-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)butyl)urea
CID 44409890
1-(4-(4-(2-Tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)butyl)-3-neopentylurea
CID 44409891
2-N-cyclohexyl-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 46225981

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).