6-(3,5-dimethylpyrazol-1-yl)-N-[1,4-dimethyl-5-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-3-yl]pyrimidin-4-amine

C20H19F3N8 — CID 134440527

IUPAC6-(3,5-dimethylpyrazol-1-yl)-N-[1,4-dimethyl-5-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-3-yl]pyrimidin-4-amine
SMILESCc1cc(C)n(-c2cc(Nc3nn(C)c(-c4ccc(C(F)(F)F)nc4)c3C)ncn2)n1
InChIInChI=1S/C20H19F3N8/c1-11-7-12(2)31(28-11)17-8-16(25-10-26-17)27-19-13(3)18(30(4)29-19)14-5-6-15(24-9-14)20(21,22)23/h5-10H,1-4H3,(H,25,26,27,29)
InChIKeyREZZANPQJFGWFN-UHFFFAOYSA-N
MW428.42 g/mol
LogP4.15
Rot. Bonds4

About 6-(3,5-dimethylpyrazol-1-yl)-N-[1,4-dimethyl-5-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-3-yl]pyrimidin-4-amine

6-(3,5-dimethylpyrazol-1-yl)-N-[1,4-dimethyl-5-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-3-yl]pyrimidin-4-amine (PubChem CID 134440527) has the molecular formula C20H19F3N8 and a molecular weight of 428.42 g/mol. Its IUPAC name is 6-(3,5-dimethylpyrazol-1-yl)-N-[1,4-dimethyl-5-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(3,5-dimethylpyrazol-1-yl)-N-[1,4-dimethyl-5-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-3-yl]pyrimidin-4-amine
PubChem CID134440527
Molecular FormulaC20H19F3N8
Molecular Weight428.42 g/mol
Exact Mass428.17
IUPAC Name6-(3,5-dimethylpyrazol-1-yl)-N-[1,4-dimethyl-5-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-3-yl]pyrimidin-4-amine
SMILESCc1cc(C)n(-c2cc(Nc3nn(C)c(-c4ccc(C(F)(F)F)nc4)c3C)ncn2)n1
InChIInChI=1S/C20H19F3N8/c1-11-7-12(2)31(28-11)17-8-16(25-10-26-17)27-19-13(3)18(30(4)29-19)14-5-6-15(24-9-14)20(21,22)23/h5-10H,1-4H3,(H,25,26,27,29)
InChIKeyREZZANPQJFGWFN-UHFFFAOYSA-N
XLogP4.15
TPSA86.34 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.42
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-N-[1,4-dimethyl-5-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-3-yl]pyrimidin-4-amine?
The IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-N-[1,4-dimethyl-5-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-3-yl]pyrimidin-4-amine (CID 134440527) is 6-(3,5-dimethylpyrazol-1-yl)-N-[1,4-dimethyl-5-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-3-yl]pyrimidin-4-amine.
What is the SMILES notation for 6-(3,5-dimethylpyrazol-1-yl)-N-[1,4-dimethyl-5-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-3-yl]pyrimidin-4-amine?
The canonical SMILES for 6-(3,5-dimethylpyrazol-1-yl)-N-[1,4-dimethyl-5-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-3-yl]pyrimidin-4-amine is Cc1cc(C)n(-c2cc(Nc3nn(C)c(-c4ccc(C(F)(F)F)nc4)c3C)ncn2)n1.
What is the InChIKey of 6-(3,5-dimethylpyrazol-1-yl)-N-[1,4-dimethyl-5-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-3-yl]pyrimidin-4-amine?
The InChIKey is REZZANPQJFGWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N8/c1-11-7-12(2)31(28-11)17-8-16(25-10-26-17)27-19-13(3)18(30(4)29-19)14-5-6-15(24-9-14)20(21,22)23/h5-10H,1-4H3,(H,25,26,27,29).
What are the key properties of 6-(3,5-dimethylpyrazol-1-yl)-N-[1,4-dimethyl-5-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-3-yl]pyrimidin-4-amine?
6-(3,5-dimethylpyrazol-1-yl)-N-[1,4-dimethyl-5-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-3-yl]pyrimidin-4-amine has a molecular weight of 428.42 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethylpyrazol-1-yl)-N-[1,4-dimethyl-5-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 134440527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).