4-(1-ethyl-5-methylpyrazol-4-yl)-N-[(1-ethylpyrazol-4-yl)methyl]-6-(trifluoromethyl)pyrimidin-2-amine

C17H20F3N7 — CID 44821953

IUPAC4-(1-ethyl-5-methylpyrazol-4-yl)-N-[(1-ethylpyrazol-4-yl)methyl]-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCCn1cc(CNc2nc(-c3cnn(CC)c3C)cc(C(F)(F)F)n2)cn1
InChIInChI=1S/C17H20F3N7/c1-4-26-10-12(8-22-26)7-21-16-24-14(6-15(25-16)17(18,19)20)13-9-23-27(5-2)11(13)3/h6,8-10H,4-5,7H2,1-3H3,(H,21,24,25)
InChIKeyGKATXCYCSODCRI-UHFFFAOYSA-N
MW379.39 g/mol
LogP3.52
Rot. Bonds6

About 4-(1-ethyl-5-methylpyrazol-4-yl)-N-[(1-ethylpyrazol-4-yl)methyl]-6-(trifluoromethyl)pyrimidin-2-amine

4-(1-ethyl-5-methylpyrazol-4-yl)-N-[(1-ethylpyrazol-4-yl)methyl]-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 44821953) has the molecular formula C17H20F3N7 and a molecular weight of 379.39 g/mol. Its IUPAC name is 4-(1-ethyl-5-methylpyrazol-4-yl)-N-[(1-ethylpyrazol-4-yl)methyl]-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(1-ethyl-5-methylpyrazol-4-yl)-N-[(1-ethylpyrazol-4-yl)methyl]-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID44821953
Molecular FormulaC17H20F3N7
Molecular Weight379.39 g/mol
Exact Mass379.17
IUPAC Name4-(1-ethyl-5-methylpyrazol-4-yl)-N-[(1-ethylpyrazol-4-yl)methyl]-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCCn1cc(CNc2nc(-c3cnn(CC)c3C)cc(C(F)(F)F)n2)cn1
InChIInChI=1S/C17H20F3N7/c1-4-26-10-12(8-22-26)7-21-16-24-14(6-15(25-16)17(18,19)20)13-9-23-27(5-2)11(13)3/h6,8-10H,4-5,7H2,1-3H3,(H,21,24,25)
InChIKeyGKATXCYCSODCRI-UHFFFAOYSA-N
XLogP3.52
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.39
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(1-ethyl-5-methylpyrazol-4-yl)-N-[(1-ethylpyrazol-4-yl)methyl]-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 4-(1-ethyl-5-methylpyrazol-4-yl)-N-[(1-ethylpyrazol-4-yl)methyl]-6-(trifluoromethyl)pyrimidin-2-amine (CID 44821953) is 4-(1-ethyl-5-methylpyrazol-4-yl)-N-[(1-ethylpyrazol-4-yl)methyl]-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(1-ethyl-5-methylpyrazol-4-yl)-N-[(1-ethylpyrazol-4-yl)methyl]-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 4-(1-ethyl-5-methylpyrazol-4-yl)-N-[(1-ethylpyrazol-4-yl)methyl]-6-(trifluoromethyl)pyrimidin-2-amine is CCn1cc(CNc2nc(-c3cnn(CC)c3C)cc(C(F)(F)F)n2)cn1.
What is the InChIKey of 4-(1-ethyl-5-methylpyrazol-4-yl)-N-[(1-ethylpyrazol-4-yl)methyl]-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is GKATXCYCSODCRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N7/c1-4-26-10-12(8-22-26)7-21-16-24-14(6-15(25-16)17(18,19)20)13-9-23-27(5-2)11(13)3/h6,8-10H,4-5,7H2,1-3H3,(H,21,24,25).
What are the key properties of 4-(1-ethyl-5-methylpyrazol-4-yl)-N-[(1-ethylpyrazol-4-yl)methyl]-6-(trifluoromethyl)pyrimidin-2-amine?
4-(1-ethyl-5-methylpyrazol-4-yl)-N-[(1-ethylpyrazol-4-yl)methyl]-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 379.39 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethyl-5-methylpyrazol-4-yl)-N-[(1-ethylpyrazol-4-yl)methyl]-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 44821953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).