1-[4-[5-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanone

C14H19F3N4O — CID 130210298

IUPAC1-[4-[5-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ncc(C(C)C)c(C(F)(F)F)n2)CC1
InChIInChI=1S/C14H19F3N4O/c1-9(2)11-8-18-13(19-12(11)14(15,16)17)21-6-4-20(5-7-21)10(3)22/h8-9H,4-7H2,1-3H3
InChIKeyBBRYVMCLFMWNIA-UHFFFAOYSA-N
MW316.33 g/mol
LogP2.29
Rot. Bonds2

About 1-[4-[5-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanone

1-[4-[5-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanone (PubChem CID 130210298) has the molecular formula C14H19F3N4O and a molecular weight of 316.33 g/mol. Its IUPAC name is 1-[4-[5-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[5-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanone
PubChem CID130210298
Molecular FormulaC14H19F3N4O
Molecular Weight316.33 g/mol
Exact Mass316.15
IUPAC Name1-[4-[5-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ncc(C(C)C)c(C(F)(F)F)n2)CC1
InChIInChI=1S/C14H19F3N4O/c1-9(2)11-8-18-13(19-12(11)14(15,16)17)21-6-4-20(5-7-21)10(3)22/h8-9H,4-7H2,1-3H3
InChIKeyBBRYVMCLFMWNIA-UHFFFAOYSA-N
XLogP2.29
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.33
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[5-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanone (CID 130210298) is 1-[4-[5-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[5-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[5-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanone is CC(=O)N1CCN(c2ncc(C(C)C)c(C(F)(F)F)n2)CC1.
What is the InChIKey of 1-[4-[5-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanone?
The InChIKey is BBRYVMCLFMWNIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N4O/c1-9(2)11-8-18-13(19-12(11)14(15,16)17)21-6-4-20(5-7-21)10(3)22/h8-9H,4-7H2,1-3H3.
What are the key properties of 1-[4-[5-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanone?
1-[4-[5-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanone has a molecular weight of 316.33 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 130210298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).