N-ethyl-4-(1-ethylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine

C12H14F3N5 — CID 44821865

IUPACN-ethyl-4-(1-ethylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCCNc1nc(-c2cnn(CC)c2)cc(C(F)(F)F)n1
InChIInChI=1S/C12H14F3N5/c1-3-16-11-18-9(5-10(19-11)12(13,14)15)8-6-17-20(4-2)7-8/h5-7H,3-4H2,1-2H3,(H,16,18,19)
InChIKeyVGEDOMLFMLSQOQ-UHFFFAOYSA-N
MW285.27 g/mol
LogP2.81
Rot. Bonds4

About N-ethyl-4-(1-ethylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine

N-ethyl-4-(1-ethylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 44821865) has the molecular formula C12H14F3N5 and a molecular weight of 285.27 g/mol. Its IUPAC name is N-ethyl-4-(1-ethylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-(1-ethylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID44821865
Molecular FormulaC12H14F3N5
Molecular Weight285.27 g/mol
Exact Mass285.12
IUPAC NameN-ethyl-4-(1-ethylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCCNc1nc(-c2cnn(CC)c2)cc(C(F)(F)F)n1
InChIInChI=1S/C12H14F3N5/c1-3-16-11-18-9(5-10(19-11)12(13,14)15)8-6-17-20(4-2)7-8/h5-7H,3-4H2,1-2H3,(H,16,18,19)
InChIKeyVGEDOMLFMLSQOQ-UHFFFAOYSA-N
XLogP2.81
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(1-ethylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-ethyl-4-(1-ethylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine (CID 44821865) is N-ethyl-4-(1-ethylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-ethyl-4-(1-ethylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-ethyl-4-(1-ethylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine is CCNc1nc(-c2cnn(CC)c2)cc(C(F)(F)F)n1.
What is the InChIKey of N-ethyl-4-(1-ethylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is VGEDOMLFMLSQOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N5/c1-3-16-11-18-9(5-10(19-11)12(13,14)15)8-6-17-20(4-2)7-8/h5-7H,3-4H2,1-2H3,(H,16,18,19).
What are the key properties of N-ethyl-4-(1-ethylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine?
N-ethyl-4-(1-ethylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 285.27 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(1-ethylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 44821865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).