5-chloro-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine

C8H5ClF3N5 — CID 114049973

IUPAC5-chloro-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine
SMILESNc1ncnc(-n2cc(C(F)(F)F)cn2)c1Cl
InChIInChI=1S/C8H5ClF3N5/c9-5-6(13)14-3-15-7(5)17-2-4(1-16-17)8(10,11)12/h1-3H,(H2,13,14,15)
InChIKeySEEKADPTRQFJAI-UHFFFAOYSA-N
MW263.61 g/mol
LogP1.92
Rot. Bonds1

About 5-chloro-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine

5-chloro-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine (PubChem CID 114049973) has the molecular formula C8H5ClF3N5 and a molecular weight of 263.61 g/mol. Its IUPAC name is 5-chloro-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine
PubChem CID114049973
Molecular FormulaC8H5ClF3N5
Molecular Weight263.61 g/mol
Exact Mass263.02
IUPAC Name5-chloro-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine
SMILESNc1ncnc(-n2cc(C(F)(F)F)cn2)c1Cl
InChIInChI=1S/C8H5ClF3N5/c9-5-6(13)14-3-15-7(5)17-2-4(1-16-17)8(10,11)12/h1-3H,(H2,13,14,15)
InChIKeySEEKADPTRQFJAI-UHFFFAOYSA-N
XLogP1.92
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.61
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine?
The IUPAC name of 5-chloro-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine (CID 114049973) is 5-chloro-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine.
What is the SMILES notation for 5-chloro-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine?
The canonical SMILES for 5-chloro-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine is Nc1ncnc(-n2cc(C(F)(F)F)cn2)c1Cl.
What is the InChIKey of 5-chloro-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine?
The InChIKey is SEEKADPTRQFJAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF3N5/c9-5-6(13)14-3-15-7(5)17-2-4(1-16-17)8(10,11)12/h1-3H,(H2,13,14,15).
What are the key properties of 5-chloro-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine?
5-chloro-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine has a molecular weight of 263.61 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 114049973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).