2-[1-(2,2,3,3-tetrafluoropropyl)pyrazol-4-yl]pyrimidin-4-amine

C10H9F4N5 — CID 167425826

IUPAC2-[1-(2,2,3,3-tetrafluoropropyl)pyrazol-4-yl]pyrimidin-4-amine
SMILESNc1ccnc(-c2cnn(CC(F)(F)C(F)F)c2)n1
InChIInChI=1S/C10H9F4N5/c11-9(12)10(13,14)5-19-4-6(3-17-19)8-16-2-1-7(15)18-8/h1-4,9H,5H2,(H2,15,16,18)
InChIKeyJTZKRIWZAJEGGN-UHFFFAOYSA-N
MW275.21 g/mol
LogP1.82
Rot. Bonds4

About 2-[1-(2,2,3,3-tetrafluoropropyl)pyrazol-4-yl]pyrimidin-4-amine

2-[1-(2,2,3,3-tetrafluoropropyl)pyrazol-4-yl]pyrimidin-4-amine (PubChem CID 167425826) has the molecular formula C10H9F4N5 and a molecular weight of 275.21 g/mol. Its IUPAC name is 2-[1-(2,2,3,3-tetrafluoropropyl)pyrazol-4-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[1-(2,2,3,3-tetrafluoropropyl)pyrazol-4-yl]pyrimidin-4-amine
PubChem CID167425826
Molecular FormulaC10H9F4N5
Molecular Weight275.21 g/mol
Exact Mass275.08
IUPAC Name2-[1-(2,2,3,3-tetrafluoropropyl)pyrazol-4-yl]pyrimidin-4-amine
SMILESNc1ccnc(-c2cnn(CC(F)(F)C(F)F)c2)n1
InChIInChI=1S/C10H9F4N5/c11-9(12)10(13,14)5-19-4-6(3-17-19)8-16-2-1-7(15)18-8/h1-4,9H,5H2,(H2,15,16,18)
InChIKeyJTZKRIWZAJEGGN-UHFFFAOYSA-N
XLogP1.82
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.21
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

4-N-methyl-2-N-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69091994
4-N-methyl-2-N-(2-methylpyrazol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69092378
4-N-methyl-2-N-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69093313
US9932325, Example 190
CID 132244750
Pyrazolo[1,5-a]pyrimidin-2-amine
CID 45602167
Pyrazolo[1,5-a]pyrimidin-5-amine
CID 55285819
6-(1H-pyrazol-1-yl)pyrimidin-4-amine
CID 10749494
2-(Trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 75398512
2-chloro-4-(4-methyl-1H-pyrazol-1-yl)pyrimidine
CID 62343477
{Pyrazolo[1,5-a]pyrimidin-6-yl}methanamine
CID 63820624
N-Propyl-6-(1H-pyrazol-1-YL)pyrimidin-4-amine
CID 53015218
N-ethyl-6-(1H-pyrazol-1-yl)pyrimidin-4-amine
CID 53015219

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,2,3,3-tetrafluoropropyl)pyrazol-4-yl]pyrimidin-4-amine?
The IUPAC name of 2-[1-(2,2,3,3-tetrafluoropropyl)pyrazol-4-yl]pyrimidin-4-amine (CID 167425826) is 2-[1-(2,2,3,3-tetrafluoropropyl)pyrazol-4-yl]pyrimidin-4-amine.
What is the SMILES notation for 2-[1-(2,2,3,3-tetrafluoropropyl)pyrazol-4-yl]pyrimidin-4-amine?
The canonical SMILES for 2-[1-(2,2,3,3-tetrafluoropropyl)pyrazol-4-yl]pyrimidin-4-amine is Nc1ccnc(-c2cnn(CC(F)(F)C(F)F)c2)n1.
What is the InChIKey of 2-[1-(2,2,3,3-tetrafluoropropyl)pyrazol-4-yl]pyrimidin-4-amine?
The InChIKey is JTZKRIWZAJEGGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F4N5/c11-9(12)10(13,14)5-19-4-6(3-17-19)8-16-2-1-7(15)18-8/h1-4,9H,5H2,(H2,15,16,18).
What are the key properties of 2-[1-(2,2,3,3-tetrafluoropropyl)pyrazol-4-yl]pyrimidin-4-amine?
2-[1-(2,2,3,3-tetrafluoropropyl)pyrazol-4-yl]pyrimidin-4-amine has a molecular weight of 275.21 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,2,3,3-tetrafluoropropyl)pyrazol-4-yl]pyrimidin-4-amine is sourced from PubChem (CID 167425826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).