5-butan-2-yl-N-propan-2-yl-2-pyrazol-1-yl-6-(trifluoromethyl)pyrimidin-4-amine

C15H20F3N5 — CID 68950468

IUPAC5-butan-2-yl-N-propan-2-yl-2-pyrazol-1-yl-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCCC(C)c1c(NC(C)C)nc(-n2cccn2)nc1C(F)(F)F
InChIInChI=1S/C15H20F3N5/c1-5-10(4)11-12(15(16,17)18)21-14(23-8-6-7-19-23)22-13(11)20-9(2)3/h6-10H,5H2,1-4H3,(H,20,21,22)
InChIKeyGBBNACODXKQTOX-UHFFFAOYSA-N
MW327.35 g/mol
LogP4.01
Rot. Bonds5

About 5-butan-2-yl-N-propan-2-yl-2-pyrazol-1-yl-6-(trifluoromethyl)pyrimidin-4-amine

5-butan-2-yl-N-propan-2-yl-2-pyrazol-1-yl-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 68950468) has the molecular formula C15H20F3N5 and a molecular weight of 327.35 g/mol. Its IUPAC name is 5-butan-2-yl-N-propan-2-yl-2-pyrazol-1-yl-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-butan-2-yl-N-propan-2-yl-2-pyrazol-1-yl-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID68950468
Molecular FormulaC15H20F3N5
Molecular Weight327.35 g/mol
Exact Mass327.17
IUPAC Name5-butan-2-yl-N-propan-2-yl-2-pyrazol-1-yl-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCCC(C)c1c(NC(C)C)nc(-n2cccn2)nc1C(F)(F)F
InChIInChI=1S/C15H20F3N5/c1-5-10(4)11-12(15(16,17)18)21-14(23-8-6-7-19-23)22-13(11)20-9(2)3/h6-10H,5H2,1-4H3,(H,20,21,22)
InChIKeyGBBNACODXKQTOX-UHFFFAOYSA-N
XLogP4.01
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.35
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-N-propan-2-yl-2-pyrazol-1-yl-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 5-butan-2-yl-N-propan-2-yl-2-pyrazol-1-yl-6-(trifluoromethyl)pyrimidin-4-amine (CID 68950468) is 5-butan-2-yl-N-propan-2-yl-2-pyrazol-1-yl-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 5-butan-2-yl-N-propan-2-yl-2-pyrazol-1-yl-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 5-butan-2-yl-N-propan-2-yl-2-pyrazol-1-yl-6-(trifluoromethyl)pyrimidin-4-amine is CCC(C)c1c(NC(C)C)nc(-n2cccn2)nc1C(F)(F)F.
What is the InChIKey of 5-butan-2-yl-N-propan-2-yl-2-pyrazol-1-yl-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is GBBNACODXKQTOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N5/c1-5-10(4)11-12(15(16,17)18)21-14(23-8-6-7-19-23)22-13(11)20-9(2)3/h6-10H,5H2,1-4H3,(H,20,21,22).
What are the key properties of 5-butan-2-yl-N-propan-2-yl-2-pyrazol-1-yl-6-(trifluoromethyl)pyrimidin-4-amine?
5-butan-2-yl-N-propan-2-yl-2-pyrazol-1-yl-6-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 327.35 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-N-propan-2-yl-2-pyrazol-1-yl-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 68950468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).